1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide

Base Information

Chemical Name:1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide
CAS No.:955946-56-2
Molecular Formula:C₃₄H₃₇F₄N₅O₄
Molecular Weight:655.692
Hs Code.:
European Community (EC) Number:815-094-6
ChEMBL ID:CHEMBL1233786
Wikidata:Q27461824

1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide

Synonyms:1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide;CHEMBL1233786;SCHEMBL1774854;3k23;BDBM50505289;Q27461824;1-{[3-(4-{[(2R)-4-[5-Fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide

Chemical Property:

XLogP3:6.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:655.27816733
Heavy Atom Count:47
Complexity:1110

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C2C=NN(C2=C1)C3=CC=CC(=C3)C(=O)N4CCCC4C(=O)N)NCC(CC(C)(C)C5=C(C=CC(=C5)F)OC)(C(F)(F)F)O
Isomeric SMILES:CC1=CC(=C2C=NN(C2=C1)C3=CC=CC(=C3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)C5=C(C=CC(=C5)F)OC)(C(F)(F)F)O

Technology Process of 1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide

There total 3 articles about 1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 62937-45-5
(R)-prolinamide

: 955946-56-2
1-{[3-(4-{[(2R)-4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide

Guidance literature:: 3-(4-([(2R)-4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino)-6-methyl-1H-indazol-1-yl)benzoic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

(R)-prolinamide; In N,N-dimethyl-formamide; at 20 ℃; Product distribution / selectivity;

Reference yield:

: 62937-45-5
(R)-prolinamide

: 955946-56-2
1-{[3-(4-{[(2R)-4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide

: 1-{[3-(4-{[(2S)-4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide

Guidance literature:: 3-(4-{[4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)benzoic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

(R)-prolinamide; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Product distribution / selectivity;