CAS No.446859-33-2,2-(3-(6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-4-YL)-1,5-NAPHTHYRIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	446859-33-2
Name:	2-(3-(6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-4-YL)-1,5-NAPHTHYRIDINE
Article Data:	2

Formula:	C₁₇H₁₃N₅
Molecular Weight:	287.32
Synonyms:	1,5-Naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-;Alk 5 Inhibitor II;SJN 2511;
Density:	1.297 g/cm³
Melting Point:	195 °C
Boiling Point:	501.911 °C at 760 mmHg
Flash Point:	230.461 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	67.35000
LogP:	3.39030

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Specification

2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine is an organic compound with the formula C₁₇H₁₃N₅, and its systematic name is the same with the product name. With the CAS registry number 446859-33-2, it is also named as 1,5-Naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-. It belongs to the product category of Selective inhibitor of the TGF-β type I receptor ALK5. In addition, the molecular weight is 287.32. This chemical is toxic if swallowed. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

Physical properties of 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine are: (1)ACD/LogP: 2.453; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 43.04; (6)ACD/BCF (pH 7.4): 42.84; (7)ACD/KOC (pH 5.5): 514.10; (8)ACD/KOC (pH 7.4): 511.81; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.35 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 84.902 cm³; (15)Molar Volume: 221.611 cm³; (16)Polarizability: 33.658×10^-24cm³; (17)Surface Tension: 66.0 dyne/cm; (18)Density: 1.297 g/cm³; (19)Flash Point: 230.461 °C; (20)Enthalpy of Vaporization: 74.162 kJ/mol; (21)Boiling Point: 501.911 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(n1)c2c(c[nH]n2)c3ccc4c(n3)cccn4
(2)Std. InChI: InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
(3)Std. InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-N