1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide

C20H23N7O3S — CID 56724682

IUPAC1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1
InChIInChI=1S/C20H23N7O3S/c21-31(29,30)17-6-4-15(5-7-17)12-22-20(28)16-3-1-9-26(13-16)18-11-19(24-14-23-18)27-10-2-8-25-27/h2,4-8,10-11,14,16H,1,3,9,12-13H2,(H,22,28)(H2,21,29,30)
InChIKeyGYBMSXGFWFWHLH-UHFFFAOYSA-N
MW441.52 g/mol
LogP0.84
Rot. Bonds6

About 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide

1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 56724682) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
PubChem CID56724682
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1
InChIInChI=1S/C20H23N7O3S/c21-31(29,30)17-6-4-15(5-7-17)12-22-20(28)16-3-1-9-26(13-16)18-11-19(24-14-23-18)27-10-2-8-25-27/h2,4-8,10-11,14,16H,1,3,9,12-13H2,(H,22,28)(H2,21,29,30)
InChIKeyGYBMSXGFWFWHLH-UHFFFAOYSA-N
XLogP0.84
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide (CID 56724682) is 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GYBMSXGFWFWHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c21-31(29,30)17-6-4-15(5-7-17)12-22-20(28)16-3-1-9-26(13-16)18-11-19(24-14-23-18)27-10-2-8-25-27/h2,4-8,10-11,14,16H,1,3,9,12-13H2,(H,22,28)(H2,21,29,30).
What are the key properties of 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56724682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).