N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide

C26H21F3N6O2S — CID 164594058

IUPACN-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc5c([nH]4)CCCC5)ncn3c2)c1F
InChIInChI=1S/C26H21F3N6O2S/c1-14-22(10-16(27)11-30-14)38(36,37)34-20-8-7-17(28)23(24(20)29)15-6-9-21-25(31-13-35(21)12-15)26-32-18-4-2-3-5-19(18)33-26/h6-13,34H,2-5H2,1H3,(H,32,33)
InChIKeyDSSGTPXFZIFXHQ-UHFFFAOYSA-N
MW538.56 g/mol
LogP5.19
Rot. Bonds5

About N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide

N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (PubChem CID 164594058) has the molecular formula C26H21F3N6O2S and a molecular weight of 538.56 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
PubChem CID164594058
Molecular FormulaC26H21F3N6O2S
Molecular Weight538.56 g/mol
Exact Mass538.14
IUPAC NameN-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4nc5c([nH]4)CCCC5)ncn3c2)c1F
InChIInChI=1S/C26H21F3N6O2S/c1-14-22(10-16(27)11-30-14)38(36,37)34-20-8-7-17(28)23(24(20)29)15-6-9-21-25(31-13-35(21)12-15)26-32-18-4-2-3-5-19(18)33-26/h6-13,34H,2-5H2,1H3,(H,32,33)
InChIKeyDSSGTPXFZIFXHQ-UHFFFAOYSA-N
XLogP5.19
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.56
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-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-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (CID 164594058) is N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-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-(4,5,6,7-tetrahydro-1H-benzimidazol-2-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-(4,5,6,7-tetrahydro-1H-benzimidazol-2-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(-c4nc5c([nH]4)CCCC5)ncn3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
The InChIKey is DSSGTPXFZIFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2S/c1-14-22(10-16(27)11-30-14)38(36,37)34-20-8-7-17(28)23(24(20)29)15-6-9-21-25(31-13-35(21)12-15)26-32-18-4-2-3-5-19(18)33-26/h6-13,34H,2-5H2,1H3,(H,32,33).
What are the key properties of N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide has a molecular weight of 538.56 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).