CAS No.700874-72-2,LY 2157299 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	700874-72-2
Name:	LY 2157299
Article Data:	2

Formula:	C₂₂H₁₉N₅O
Molecular Weight:	369.42
Synonyms:	4-[2-(6-Methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;LY 2157299;4-[2-(6-Methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide;
Density:	1.409 g/cm³
Boiling Point:	619.004 °C at 760 mmHg
Flash Point:	328.162 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	86.69000
LogP:	4.21410

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Specification

The 6-Quinolinecarboxamide, 4-[5,6-dihydro-2-(6-methyl-2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-, with the CAS registry number 700874-72-2, is also known as 4-[2-(6-Methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide. This chemical's molecular formula is C₂₂H₁₉N₅O and molecular weight is 369.42. What's more, its systematic name is 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide.

Physical properties of 6-Quinolinecarboxamide, 4-[5,6-dihydro-2-(6-methyl-2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110 ; (8)ACD/KOC (pH 7.4): 110; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 86.69 Å²; (13)Index of Refraction: 1.751; (14)Molar Refractivity: 106.891 cm³; (15)Molar Volume: 262.121 cm³; (16)Polarizability: 42.375×10^-24cm³; (17)Surface Tension: 59.67 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 328.162 °C; (20)Enthalpy of Vaporization: 91.763 kJ/mol; (21)Boiling Point: 619.004 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c5cc4c(c1c(nn2c1CCC2)c3nc(ccc3)C)ccnc4cc5
(2)Std. InChI: InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
(3)Std. InChIKey: IVRXNBXKWIJUQB-UHFFFAOYSA-N