6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

C22H16F2N6O3S — CID 164594594

IUPAC6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(C#N)cnc4C)c3F)ccc12
InChIInChI=1S/C22H16F2N6O3S/c1-12-18(7-13(8-25)9-27-12)34(32,33)29-16-5-4-15(23)19(20(16)24)14-3-6-17-21(22(31)26-2)28-11-30(17)10-14/h3-7,9-11,29H,1-2H3,(H,26,31)
InChIKeyNODOEHSJWLKBKX-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.02
Rot. Bonds5

About 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 164594594) has the molecular formula C22H16F2N6O3S and a molecular weight of 482.47 g/mol. Its IUPAC name is 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID164594594
Molecular FormulaC22H16F2N6O3S
Molecular Weight482.47 g/mol
Exact Mass482.10
IUPAC Name6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(C#N)cnc4C)c3F)ccc12
InChIInChI=1S/C22H16F2N6O3S/c1-12-18(7-13(8-25)9-27-12)34(32,33)29-16-5-4-15(23)19(20(16)24)14-3-6-17-21(22(31)26-2)28-11-30(17)10-14/h3-7,9-11,29H,1-2H3,(H,26,31)
InChIKeyNODOEHSJWLKBKX-UHFFFAOYSA-N
XLogP3.02
TPSA129.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 164594594) is 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(C#N)cnc4C)c3F)ccc12.
What is the InChIKey of 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is NODOEHSJWLKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O3S/c1-12-18(7-13(8-25)9-27-12)34(32,33)29-16-5-4-15(23)19(20(16)24)14-3-6-17-21(22(31)26-2)28-11-30(17)10-14/h3-7,9-11,29H,1-2H3,(H,26,31).
What are the key properties of 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-cyano-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 164594594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).