2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C19H19F2N7O3S — CID 146525677

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(-n3cccn3)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C19H19F2N7O3S/c20-19(21)3-8-27(9-4-19)17-15(11-14(12-24-17)28-7-1-5-25-28)18(29)26-13-2-6-23-16(10-13)32(22,30)31/h1-2,5-7,10-12H,3-4,8-9H2,(H2,22,30,31)(H,23,26,29)
InChIKeyQAAKDIDDRZHCSC-UHFFFAOYSA-N
MW463.47 g/mol
LogP1.80
Rot. Bonds5

About 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525677) has the molecular formula C19H19F2N7O3S and a molecular weight of 463.47 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525677
Molecular FormulaC19H19F2N7O3S
Molecular Weight463.47 g/mol
Exact Mass463.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(-n3cccn3)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C19H19F2N7O3S/c20-19(21)3-8-27(9-4-19)17-15(11-14(12-24-17)28-7-1-5-25-28)18(29)26-13-2-6-23-16(10-13)32(22,30)31/h1-2,5-7,10-12H,3-4,8-9H2,(H2,22,30,31)(H,23,26,29)
InChIKeyQAAKDIDDRZHCSC-UHFFFAOYSA-N
XLogP1.80
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525677) is 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(-n3cccn3)cnc2N2CCC(F)(F)CC2)ccn1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is QAAKDIDDRZHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O3S/c20-19(21)3-8-27(9-4-19)17-15(11-14(12-24-17)28-7-1-5-25-28)18(29)26-13-2-6-23-16(10-13)32(22,30)31/h1-2,5-7,10-12H,3-4,8-9H2,(H2,22,30,31)(H,23,26,29).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-pyrazol-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).