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

C24H19F3N6O3S — CID 164593704

IUPACN-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc(C)c(C)[nH]4)ncn3c2)c1F
InChIInChI=1S/C24H19F3N6O3S/c1-12-13(2)31-23(30-12)22-18-7-4-14(10-33(18)11-29-22)20-16(26)5-6-17(21(20)27)32-37(34,35)19-8-15(25)9-28-24(19)36-3/h4-11,32H,1-3H3,(H,30,31)
InChIKeyFVOYNHNTPLVWIY-UHFFFAOYSA-N
MW528.52 g/mol
LogP4.63
Rot. Bonds6

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

N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (PubChem CID 164593704) has the molecular formula C24H19F3N6O3S and a molecular weight of 528.52 g/mol. Its IUPAC name is N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
PubChem CID164593704
Molecular FormulaC24H19F3N6O3S
Molecular Weight528.52 g/mol
Exact Mass528.12
IUPAC NameN-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc(C)c(C)[nH]4)ncn3c2)c1F
InChIInChI=1S/C24H19F3N6O3S/c1-12-13(2)31-23(30-12)22-18-7-4-14(10-33(18)11-29-22)20-16(26)5-6-17(21(20)27)32-37(34,35)19-8-15(25)9-28-24(19)36-3/h4-11,32H,1-3H3,(H,30,31)
InChIKeyFVOYNHNTPLVWIY-UHFFFAOYSA-N
XLogP4.63
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (CID 164593704) is N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc(C)c(C)[nH]4)ncn3c2)c1F.
What is the InChIKey of N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The InChIKey is FVOYNHNTPLVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O3S/c1-12-13(2)31-23(30-12)22-18-7-4-14(10-33(18)11-29-22)20-16(26)5-6-17(21(20)27)32-37(34,35)19-8-15(25)9-28-24(19)36-3/h4-11,32H,1-3H3,(H,30,31).
What are the key properties of N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide has a molecular weight of 528.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).