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

C23H15F2N7O3S — CID 164593755

IUPAC5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3c2)c1F
InChIInChI=1S/C23H15F2N7O3S/c1-35-23-18(8-13(9-26)10-29-23)36(33,34)31-16-4-3-15(24)19(20(16)25)14-2-5-17-21(22-27-6-7-28-22)30-12-32(17)11-14/h2-8,10-12,31H,1H3,(H,27,28)
InChIKeyWNYVUBGTORMEFG-UHFFFAOYSA-N
MW507.48 g/mol
LogP3.75
Rot. Bonds6

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

5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164593755) has the molecular formula C23H15F2N7O3S and a molecular weight of 507.48 g/mol. Its IUPAC name is 5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID164593755
Molecular FormulaC23H15F2N7O3S
Molecular Weight507.48 g/mol
Exact Mass507.09
IUPAC Name5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3c2)c1F
InChIInChI=1S/C23H15F2N7O3S/c1-35-23-18(8-13(9-26)10-29-23)36(33,34)31-16-4-3-15(24)19(20(16)25)14-2-5-17-21(22-27-6-7-28-22)30-12-32(17)11-14/h2-8,10-12,31H,1H3,(H,27,28)
InChIKeyWNYVUBGTORMEFG-UHFFFAOYSA-N
XLogP3.75
TPSA138.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-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-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 164593755) is 5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-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-(1H-imidazol-2-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-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)ncn3c2)c1F.
What is the InChIKey of 5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is WNYVUBGTORMEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N7O3S/c1-35-23-18(8-13(9-26)10-29-23)36(33,34)31-16-4-3-15(24)19(20(16)25)14-2-5-17-21(22-27-6-7-28-22)30-12-32(17)11-14/h2-8,10-12,31H,1H3,(H,27,28).
What are the key properties of 5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 507.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).