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

C22H14F4N6O2S — CID 164594095

IUPACN-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-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(-c4ncc[nH]4)ncn3c2F)c1F
InChIInChI=1S/C22H14F4N6O2S/c1-11-17(8-12(23)9-29-11)35(33,34)31-15-4-3-14(24)18(19(15)25)13-2-5-16-20(22-27-6-7-28-22)30-10-32(16)21(13)26/h2-10,31H,1H3,(H,27,28)
InChIKeyIJBRLSXBYIPOLT-UHFFFAOYSA-N
MW502.45 g/mol
LogP4.45
Rot. Bonds5

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

N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (PubChem CID 164594095) has the molecular formula C22H14F4N6O2S and a molecular weight of 502.45 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
PubChem CID164594095
Molecular FormulaC22H14F4N6O2S
Molecular Weight502.45 g/mol
Exact Mass502.08
IUPAC NameN-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-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(-c4ncc[nH]4)ncn3c2F)c1F
InChIInChI=1S/C22H14F4N6O2S/c1-11-17(8-12(23)9-29-11)35(33,34)31-15-4-3-14(24)18(19(15)25)13-2-5-16-20(22-27-6-7-28-22)30-10-32(16)21(13)26/h2-10,31H,1H3,(H,27,28)
InChIKeyIJBRLSXBYIPOLT-UHFFFAOYSA-N
XLogP4.45
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-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-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide (CID 164594095) is N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-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-[5-fluoro-1-(1H-imidazol-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-[5-fluoro-1-(1H-imidazol-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(-c4ncc[nH]4)ncn3c2F)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
The InChIKey is IJBRLSXBYIPOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N6O2S/c1-11-17(8-12(23)9-29-11)35(33,34)31-15-4-3-14(24)18(19(15)25)13-2-5-16-20(22-27-6-7-28-22)30-10-32(16)21(13)26/h2-10,31H,1H3,(H,27,28).
What are the key properties of N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide?
N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide has a molecular weight of 502.45 g/mol, XLogP of 4.45, 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-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164594095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).