5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide

C24H19ClF2N6O2S — CID 164594458

IUPAC5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc(C)c(C)[nH]4)ncn3c2)c1F
InChIInChI=1S/C24H19ClF2N6O2S/c1-12-13(2)31-24(30-12)23-19-7-4-15(10-33(19)11-29-23)21-17(26)5-6-18(22(21)27)32-36(34,35)20-8-16(25)9-28-14(20)3/h4-11,32H,1-3H3,(H,30,31)
InChIKeyKMDAPEBZYBZGRS-UHFFFAOYSA-N
MW528.97 g/mol
LogP5.44
Rot. Bonds5

About 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide

5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide (PubChem CID 164594458) has the molecular formula C24H19ClF2N6O2S and a molecular weight of 528.97 g/mol. Its IUPAC name is 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide
PubChem CID164594458
Molecular FormulaC24H19ClF2N6O2S
Molecular Weight528.97 g/mol
Exact Mass528.09
IUPAC Name5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc(C)c(C)[nH]4)ncn3c2)c1F
InChIInChI=1S/C24H19ClF2N6O2S/c1-12-13(2)31-24(30-12)23-19-7-4-15(10-33(19)11-29-23)21-17(26)5-6-18(22(21)27)32-36(34,35)20-8-16(25)9-28-14(20)3/h4-11,32H,1-3H3,(H,30,31)
InChIKeyKMDAPEBZYBZGRS-UHFFFAOYSA-N
XLogP5.44
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.97
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide (CID 164594458) is 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide is Cc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc(C)c(C)[nH]4)ncn3c2)c1F.
What is the InChIKey of 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide?
The InChIKey is KMDAPEBZYBZGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N6O2S/c1-12-13(2)31-24(30-12)23-19-7-4-15(10-33(19)11-29-23)21-17(26)5-6-18(22(21)27)32-36(34,35)20-8-16(25)9-28-14(20)3/h4-11,32H,1-3H3,(H,30,31).
What are the key properties of 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide?
5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide has a molecular weight of 528.97 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).