5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

C22H19ClF2N6O3S — CID 164593691

IUPAC5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C2CCc3c(-c4ncc[nH]4)ncn3C2)c1F
InChIInChI=1S/C22H19ClF2N6O3S/c1-34-22-17(8-13(23)9-28-22)35(32,33)30-15-4-3-14(24)18(19(15)25)12-2-5-16-20(21-26-6-7-27-21)29-11-31(16)10-12/h3-4,6-9,11-12,30H,2,5,10H2,1H3,(H,26,27)
InChIKeyBCXAQJBTWUXJBO-UHFFFAOYSA-N
MW520.95 g/mol
LogP4.14
Rot. Bonds6

About 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164593691) has the molecular formula C22H19ClF2N6O3S and a molecular weight of 520.95 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID164593691
Molecular FormulaC22H19ClF2N6O3S
Molecular Weight520.95 g/mol
Exact Mass520.09
IUPAC Name5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C2CCc3c(-c4ncc[nH]4)ncn3C2)c1F
InChIInChI=1S/C22H19ClF2N6O3S/c1-34-22-17(8-13(23)9-28-22)35(32,33)30-15-4-3-14(24)18(19(15)25)12-2-5-16-20(21-26-6-7-27-21)29-11-31(16)10-12/h3-4,6-9,11-12,30H,2,5,10H2,1H3,(H,26,27)
InChIKeyBCXAQJBTWUXJBO-UHFFFAOYSA-N
XLogP4.14
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.95
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide with MolForge

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Related Compounds

N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164594370
N-[1-[(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)amino]-2,6-difluorophenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]ethenyl]-N'-methylethanimidamide;formaldehyde
CID 164594172
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
5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 155206667
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
5-chloro-N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593347
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 164594009
N-[3-(8-acetyl-2-methoxyimidazo[1,5-a]pyrimidin-3-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593971
5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593358
5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide
CID 166048215
3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N,1-dimethyl-2-oxoimidazo[1,5-a]pyrimidine-8-carboxamide
CID 170356783
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-methoxy-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594101

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 164593691) is 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C2CCc3c(-c4ncc[nH]4)ncn3C2)c1F.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is BCXAQJBTWUXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N6O3S/c1-34-22-17(8-13(23)9-28-22)35(32,33)30-15-4-3-14(24)18(19(15)25)12-2-5-16-20(21-26-6-7-27-21)29-11-31(16)10-12/h3-4,6-9,11-12,30H,2,5,10H2,1H3,(H,26,27).
What are the key properties of 5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 520.95 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 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-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).