6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

C21H16F3N5O3S — CID 164594179

IUPAC6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cnc4C)c3F)ccc12
InChIInChI=1S/C21H16F3N5O3S/c1-11-17(7-13(22)8-26-11)33(31,32)28-15-5-4-14(23)18(19(15)24)12-3-6-16-20(21(30)25-2)27-10-29(16)9-12/h3-10,28H,1-2H3,(H,25,30)
InChIKeyXZDFGGGCYBDMFZ-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.28
Rot. Bonds5

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

6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 164594179) has the molecular formula C21H16F3N5O3S and a molecular weight of 475.45 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID164594179
Molecular FormulaC21H16F3N5O3S
Molecular Weight475.45 g/mol
Exact Mass475.09
IUPAC Name6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cnc4C)c3F)ccc12
InChIInChI=1S/C21H16F3N5O3S/c1-11-17(7-13(22)8-26-11)33(31,32)28-15-5-4-14(23)18(19(15)24)12-3-6-16-20(21(30)25-2)27-10-29(16)9-12/h3-10,28H,1-2H3,(H,25,30)
InChIKeyXZDFGGGCYBDMFZ-UHFFFAOYSA-N
XLogP3.28
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 164594179) is 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cnc4C)c3F)ccc12.
What is the InChIKey of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XZDFGGGCYBDMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3S/c1-11-17(7-13(22)8-26-11)33(31,32)28-15-5-4-14(23)18(19(15)24)12-3-6-16-20(21(30)25-2)27-10-29(16)9-12/h3-10,28H,1-2H3,(H,25,30).
What are the key properties of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 475.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 164594179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).