5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide

C23H17ClF2N6O2S — CID 164594732

IUPAC5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ccn(C)n4)ncn3c2)c1F
InChIInChI=1S/C23H17ClF2N6O2S/c1-13-20(9-15(24)10-27-13)35(33,34)30-17-5-4-16(25)21(22(17)26)14-3-6-19-23(28-12-32(19)11-14)18-7-8-31(2)29-18/h3-12,30H,1-2H3
InChIKeyROUGIRKKGBOOSB-UHFFFAOYSA-N
MW514.95 g/mol
LogP4.84
Rot. Bonds5

About 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide

5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (PubChem CID 164594732) has the molecular formula C23H17ClF2N6O2S and a molecular weight of 514.95 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
PubChem CID164594732
Molecular FormulaC23H17ClF2N6O2S
Molecular Weight514.95 g/mol
Exact Mass514.08
IUPAC Name5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ccn(C)n4)ncn3c2)c1F
InChIInChI=1S/C23H17ClF2N6O2S/c1-13-20(9-15(24)10-27-13)35(33,34)30-17-5-4-16(25)21(22(17)26)14-3-6-19-23(28-12-32(19)11-14)18-7-8-31(2)29-18/h3-12,30H,1-2H3
InChIKeyROUGIRKKGBOOSB-UHFFFAOYSA-N
XLogP4.84
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.95
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (CID 164594732) is 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is Cc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ccn(C)n4)ncn3c2)c1F.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The InChIKey is ROUGIRKKGBOOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N6O2S/c1-13-20(9-15(24)10-27-13)35(33,34)30-17-5-4-16(25)21(22(17)26)14-3-6-19-23(28-12-32(19)11-14)18-7-8-31(2)29-18/h3-12,30H,1-2H3.
What are the key properties of 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide has a molecular weight of 514.95 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-difluoro-3-[1-(1-methylpyrazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).