6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C25H26F3N7O2 — CID 123176850

IUPAC6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3ncc(C#N)cc3n2)cc1NC1CCCC1(F)F
InChIInChI=1S/C25H26F3N7O2/c1-24(2,37)19(26)13-32-23(36)15-12-31-22(9-17(15)33-20-4-3-7-25(20,27)28)35-21-6-5-16-18(34-21)8-14(10-29)11-30-16/h5-6,8-9,11-12,19-20,37H,3-4,7,13H2,1-2H3,(H,32,36)(H2,31,33,34,35)
InChIKeyJXFKUPJUBYVTNK-UHFFFAOYSA-N
MW513.52 g/mol
LogP4.08
Rot. Bonds8

About 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 123176850) has the molecular formula C25H26F3N7O2 and a molecular weight of 513.52 g/mol. Its IUPAC name is 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID123176850
Molecular FormulaC25H26F3N7O2
Molecular Weight513.52 g/mol
Exact Mass513.21
IUPAC Name6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3ncc(C#N)cc3n2)cc1NC1CCCC1(F)F
InChIInChI=1S/C25H26F3N7O2/c1-24(2,37)19(26)13-32-23(36)15-12-31-22(9-17(15)33-20-4-3-7-25(20,27)28)35-21-6-5-16-18(34-21)8-14(10-29)11-30-16/h5-6,8-9,11-12,19-20,37H,3-4,7,13H2,1-2H3,(H,32,36)(H2,31,33,34,35)
InChIKeyJXFKUPJUBYVTNK-UHFFFAOYSA-N
XLogP4.08
TPSA135.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.52
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 123176850) is 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3ncc(C#N)cc3n2)cc1NC1CCCC1(F)F.
What is the InChIKey of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is JXFKUPJUBYVTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O2/c1-24(2,37)19(26)13-32-23(36)15-12-31-22(9-17(15)33-20-4-3-7-25(20,27)28)35-21-6-5-16-18(34-21)8-14(10-29)11-30-16/h5-6,8-9,11-12,19-20,37H,3-4,7,13H2,1-2H3,(H,32,36)(H2,31,33,34,35).
What are the key properties of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 513.52 g/mol, XLogP of 4.08, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-4-[(2,2-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 123176850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).