5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

C23H16F2N8O3S — CID 164593904

IUPAC5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4n[nH]c(C)n4)ncn3c2)c1F
InChIInChI=1S/C23H16F2N8O3S/c1-12-29-22(31-30-12)21-17-6-3-14(10-33(17)11-28-21)19-15(24)4-5-16(20(19)25)32-37(34,35)18-7-13(8-26)9-27-23(18)36-2/h3-7,9-11,32H,1-2H3,(H,29,30,31)
InChIKeyMKXSRQRFECEIKD-UHFFFAOYSA-N
MW522.50 g/mol
LogP3.45
Rot. Bonds6

About 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164593904) has the molecular formula C23H16F2N8O3S and a molecular weight of 522.50 g/mol. Its IUPAC name is 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID164593904
Molecular FormulaC23H16F2N8O3S
Molecular Weight522.50 g/mol
Exact Mass522.10
IUPAC Name5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4n[nH]c(C)n4)ncn3c2)c1F
InChIInChI=1S/C23H16F2N8O3S/c1-12-29-22(31-30-12)21-17-6-3-14(10-33(17)11-28-21)19-15(24)4-5-16(20(19)25)32-37(34,35)18-7-13(8-26)9-27-23(18)36-2/h3-7,9-11,32H,1-2H3,(H,29,30,31)
InChIKeyMKXSRQRFECEIKD-UHFFFAOYSA-N
XLogP3.45
TPSA150.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 164593904) is 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4n[nH]c(C)n4)ncn3c2)c1F.
What is the InChIKey of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is MKXSRQRFECEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N8O3S/c1-12-29-22(31-30-12)21-17-6-3-14(10-33(17)11-28-21)19-15(24)4-5-16(20(19)25)32-37(34,35)18-7-13(8-26)9-27-23(18)36-2/h3-7,9-11,32H,1-2H3,(H,29,30,31).
What are the key properties of 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 522.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).