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

C22H19ClF2N6O2S — CID 164594508

IUPAC5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4ncc[nH]4)ncn3C2)c1F
InChIInChI=1S/C22H19ClF2N6O2S/c1-12-18(8-14(23)9-28-12)34(32,33)30-16-4-3-15(24)19(20(16)25)13-2-5-17-21(22-26-6-7-27-22)29-11-31(17)10-13/h3-4,6-9,11,13,30H,2,5,10H2,1H3,(H,26,27)/t13-/m1/s1
InChIKeyRROSCNBYKRYKHY-CYBMUJFWSA-N
MW504.95 g/mol
LogP4.44
Rot. Bonds5

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

5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (PubChem CID 164594508) has the molecular formula C22H19ClF2N6O2S and a molecular weight of 504.95 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
PubChem CID164594508
Molecular FormulaC22H19ClF2N6O2S
Molecular Weight504.95 g/mol
Exact Mass504.09
IUPAC Name5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4ncc[nH]4)ncn3C2)c1F
InChIInChI=1S/C22H19ClF2N6O2S/c1-12-18(8-14(23)9-28-12)34(32,33)30-16-4-3-15(24)19(20(16)25)13-2-5-17-21(22-26-6-7-27-22)29-11-31(17)10-13/h3-4,6-9,11,13,30H,2,5,10H2,1H3,(H,26,27)/t13-/m1/s1
InChIKeyRROSCNBYKRYKHY-CYBMUJFWSA-N
XLogP4.44
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.95
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (CID 164594508) is 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is Cc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4ncc[nH]4)ncn3C2)c1F.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The InChIKey is RROSCNBYKRYKHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19ClF2N6O2S/c1-12-18(8-14(23)9-28-12)34(32,33)30-16-4-3-15(24)19(20(16)25)13-2-5-17-21(22-26-6-7-27-22)29-11-31(17)10-13/h3-4,6-9,11,13,30H,2,5,10H2,1H3,(H,26,27)/t13-/m1/s1.
What are the key properties of 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide has a molecular weight of 504.95 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).