(5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

Base Information

Chemical Name:(5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine
CAS No.:529508-60-9
Molecular Formula:C₂₆H₂₇FN₈
Molecular Weight:470.552
Hs Code.:
DSSTox Substance ID:DTXSID401110278
Pharos Ligand ID:JJG1S6QZWFQ7
ChEMBL ID:CHEMBL392273

Synonyms:CHEMBL392273;SCHEMBL2441291;ZMUYXYMWLSIFRR-UHFFFAOYSA-N;DTXSID401110278;BDBM50208401;(5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine;[5-[([1,4]Diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl][1-(3-fluorobenzyl)-1H-indazol-5-yl]amine;5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine;529508-60-9

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Chemical Property of (5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:470.23427106
Heavy Atom Count:35
Complexity:684

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CNCCN(C1)CC2=C3C(=NC=NN3C=C2)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F

Technology Process of (5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

There total 4 articles about (5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine 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: 82.0%

: 505-66-8
1,4-Diazacycloheptane

: 529508-53-0
(5-benzenesulfinylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

: 529508-60-9
(5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

Guidance literature:: In methanol; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

Reference yield:

: 529508-57-4
5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine

: 529508-60-9
(5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

Guidance literature:: Multi-step reaction with 4 steps

1: (i-Pr)2EtN / CH₂Cl₂ / 3 h / -20 °C

2: 1,2-dichloro-ethane; butan-1-ol / 2.5 h / 85 °C

3: m-chloroperbenzoic acid / CHCl₃ / 1 h / 0 °C

4: Heating

With N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; chloroform; 1,2-dichloro-ethane; butan-1-ol;
DOI:10.1016/j.bmcl.2007.02.050

Reference yield:

: 942416-44-6
C₁₃H₁₀ClN₃S

: 529508-60-9
(5-[1,4]Diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine

Guidance literature:: Multi-step reaction with 3 steps

1: 1,2-dichloro-ethane; butan-1-ol / 2.5 h / 85 °C

2: m-chloroperbenzoic acid / CHCl₃ / 1 h / 0 °C

3: Heating

With 3-chloro-benzenecarboperoxoic acid; In chloroform; 1,2-dichloro-ethane; butan-1-ol;
DOI:10.1016/j.bmcl.2007.02.050