N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide

C25H16ClF2N7O2S — CID 164593754

IUPACN-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(-c4nc5ccccc5[nH]4)c3cn2)c1F
InChIInChI=1S/C25H16ClF2N7O2S/c1-13-21(8-14(26)9-29-13)38(36,37)34-18-7-6-15(27)22(23(18)28)19-11-35-12-31-24(20(35)10-30-19)25-32-16-4-2-3-5-17(16)33-25/h2-12,34H,1H3,(H,32,33)
InChIKeyPZBRXSHRHGGTEV-UHFFFAOYSA-N
MW551.97 g/mol
LogP5.38
Rot. Bonds5

About N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide

N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide (PubChem CID 164593754) has the molecular formula C25H16ClF2N7O2S and a molecular weight of 551.97 g/mol. Its IUPAC name is N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide
PubChem CID164593754
Molecular FormulaC25H16ClF2N7O2S
Molecular Weight551.97 g/mol
Exact Mass551.07
IUPAC NameN-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(-c4nc5ccccc5[nH]4)c3cn2)c1F
InChIInChI=1S/C25H16ClF2N7O2S/c1-13-21(8-14(26)9-29-13)38(36,37)34-18-7-6-15(27)22(23(18)28)19-11-35-12-31-24(20(35)10-30-19)25-32-16-4-2-3-5-17(16)33-25/h2-12,34H,1H3,(H,32,33)
InChIKeyPZBRXSHRHGGTEV-UHFFFAOYSA-N
XLogP5.38
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.97
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide?
The IUPAC name of N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide (CID 164593754) is N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide is Cc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(-c4nc5ccccc5[nH]4)c3cn2)c1F.
What is the InChIKey of N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide?
The InChIKey is PZBRXSHRHGGTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF2N7O2S/c1-13-21(8-14(26)9-29-13)38(36,37)34-18-7-6-15(27)22(23(18)28)19-11-35-12-31-24(20(35)10-30-19)25-32-16-4-2-3-5-17(16)33-25/h2-12,34H,1H3,(H,32,33).
What are the key properties of N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide?
N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide has a molecular weight of 551.97 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1H-benzimidazol-2-yl)imidazo[1,5-a]pyrazin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164593754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).