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

C22H14F3N5O3S — CID 164594320

IUPACN-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ccno4)ncn3c2)c1F
InChIInChI=1S/C22H14F3N5O3S/c1-12-19(8-14(23)9-26-12)34(31,32)29-16-4-3-15(24)20(21(16)25)13-2-5-17-22(18-6-7-28-33-18)27-11-30(17)10-13/h2-11,29H,1H3
InChIKeyHJSVGPHWXZVODA-UHFFFAOYSA-N
MW485.45 g/mol
LogP4.58
Rot. Bonds5

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

N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (PubChem CID 164594320) has the molecular formula C22H14F3N5O3S and a molecular weight of 485.45 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
PubChem CID164594320
Molecular FormulaC22H14F3N5O3S
Molecular Weight485.45 g/mol
Exact Mass485.08
IUPAC NameN-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ccno4)ncn3c2)c1F
InChIInChI=1S/C22H14F3N5O3S/c1-12-19(8-14(23)9-26-12)34(31,32)29-16-4-3-15(24)20(21(16)25)13-2-5-17-22(18-6-7-28-33-18)27-11-30(17)10-13/h2-11,29H,1H3
InChIKeyHJSVGPHWXZVODA-UHFFFAOYSA-N
XLogP4.58
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2,4-difluoro-3-[1-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
CID 164594867
5-chloro-N-[2,4-difluoro-3-[1-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593757
6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594652
6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251453
N-[3-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164594213
N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164594495
2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline
CID 164594272
2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide
CID 164594614
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622365
6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-6-fluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 170356769
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622209
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 164594009

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (CID 164594320) is N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide is Cc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ccno4)ncn3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
The InChIKey is HJSVGPHWXZVODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O3S/c1-12-19(8-14(23)9-26-12)34(31,32)29-16-4-3-15(24)20(21(16)25)13-2-5-17-22(18-6-7-28-33-18)27-11-30(17)10-13/h2-11,29H,1H3.
What are the key properties of N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide has a molecular weight of 485.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[1-(1,2-oxazol-5-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).