N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C24H25N9O3S — CID 90520655

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90520655) has the molecular formula C24H25N9O3S and a molecular weight of 519.59 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 90520655
• Molecular Formula: C24H25N9O3S
• Molecular Weight: 519.59 g/mol
• Exact Mass: 519.18
• IUPAC Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCN(c4cc(-n5cccn5)ncn4)C3)cc2)n1
• InChI: InChI=1S/C24H25N9O3S/c1-17-9-11-25-24(29-17)31-37(35,36)20-7-5-19(6-8-20)30-23(34)18-4-2-12-32(15-18)21-14-22(27-16-26-21)33-13-3-10-28-33/h3,5-11,13-14,16,18H,2,4,12,15H2,1H3,(H,30,34)(H,25,29,31)
• InChIKey: OJWANRINNKQAGD-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 147.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.59
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90520655) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCN(c4cc(-n5cccn5)ncn4)C3)cc2)n1.

What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The InChIKey is OJWANRINNKQAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O3S/c1-17-9-11-25-24(29-17)31-37(35,36)20-7-5-19(6-8-20)30-23(34)18-4-2-12-32(15-18)21-14-22(27-16-26-21)33-13-3-10-28-33/h3,5-11,13-14,16,18H,2,4,12,15H2,1H3,(H,30,34)(H,25,29,31).

What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 519.59 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90520655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).