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

C23H19F2N7O3S — CID 164593708

IUPAC5-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4ncc[nH]4)ncn3C2)c1F
InChIInChI=1S/C23H19F2N7O3S/c1-35-23-18(8-13(9-26)10-29-23)36(33,34)31-16-4-3-15(24)19(20(16)25)14-2-5-17-21(22-27-6-7-28-22)30-12-32(17)11-14/h3-4,6-8,10,12,14,31H,2,5,11H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyJAYOIJBHLGRHCD-CQSZACIVSA-N
MW511.51 g/mol
LogP3.36
Rot. Bonds6

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

5-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 164593708) has the molecular formula C23H19F2N7O3S and a molecular weight of 511.51 g/mol. Its IUPAC name is 5-cyano-N-[2,4-difluoro-3-[(6S)-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-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID164593708
Molecular FormulaC23H19F2N7O3S
Molecular Weight511.51 g/mol
Exact Mass511.12
IUPAC Name5-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4ncc[nH]4)ncn3C2)c1F
InChIInChI=1S/C23H19F2N7O3S/c1-35-23-18(8-13(9-26)10-29-23)36(33,34)31-16-4-3-15(24)19(20(16)25)14-2-5-17-21(22-27-6-7-28-22)30-12-32(17)11-14/h3-4,6-8,10,12,14,31H,2,5,11H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyJAYOIJBHLGRHCD-CQSZACIVSA-N
XLogP3.36
TPSA138.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2,4-difluoro-3-[(6S)-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-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 164593708) is 5-cyano-N-[2,4-difluoro-3-[(6S)-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-cyano-N-[2,4-difluoro-3-[(6S)-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-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(C#N)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4ncc[nH]4)ncn3C2)c1F.
What is the InChIKey of 5-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is JAYOIJBHLGRHCD-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19F2N7O3S/c1-35-23-18(8-13(9-26)10-29-23)36(33,34)31-16-4-3-15(24)19(20(16)25)14-2-5-17-21(22-27-6-7-28-22)30-12-32(17)11-14/h3-4,6-8,10,12,14,31H,2,5,11H2,1H3,(H,27,28)/t14-/m1/s1.
What are the key properties of 5-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-cyano-N-[2,4-difluoro-3-[(6S)-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 511.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2,4-difluoro-3-[(6S)-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 164593708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).