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

C22H16F2N6O4S — CID 164594652

IUPAC6-[3-[(5-cyano-2-methoxy-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)cnc4OC)c3F)ccc12
InChIInChI=1S/C22H16F2N6O4S/c1-26-21(31)20-16-6-3-13(10-30(16)11-28-20)18-14(23)4-5-15(19(18)24)29-35(32,33)17-7-12(8-25)9-27-22(17)34-2/h3-7,9-11,29H,1-2H3,(H,26,31)
InChIKeySSLJTNRXSFBMNK-UHFFFAOYSA-N
MW498.47 g/mol
LogP2.72
Rot. Bonds6

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

6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 164594652) has the molecular formula C22H16F2N6O4S and a molecular weight of 498.47 g/mol. Its IUPAC name is 6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID164594652
Molecular FormulaC22H16F2N6O4S
Molecular Weight498.47 g/mol
Exact Mass498.09
IUPAC Name6-[3-[(5-cyano-2-methoxy-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)cnc4OC)c3F)ccc12
InChIInChI=1S/C22H16F2N6O4S/c1-26-21(31)20-16-6-3-13(10-30(16)11-28-20)18-14(23)4-5-15(19(18)24)29-35(32,33)17-7-12(8-25)9-27-22(17)34-2/h3-7,9-11,29H,1-2H3,(H,26,31)
InChIKeySSLJTNRXSFBMNK-UHFFFAOYSA-N
XLogP2.72
TPSA138.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 164594652) is 6-[3-[(5-cyano-2-methoxy-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-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-cyano-2-methoxy-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)cnc4OC)c3F)ccc12.
What is the InChIKey of 6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is SSLJTNRXSFBMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O4S/c1-26-21(31)20-16-6-3-13(10-30(16)11-28-20)18-14(23)4-5-15(19(18)24)29-35(32,33)17-7-12(8-25)9-27-22(17)34-2/h3-7,9-11,29H,1-2H3,(H,26,31).
What are the key properties of 6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 164594652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).