N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C21H22N8O — CID 163228456

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 163228456) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
• PubChem CID: 163228456
• Molecular Formula: C21H22N8O
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.19
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)[nH]n3)cn2)CC1
• InChI: InChI=1S/C21H22N8O/c1-28-8-10-29(11-9-28)19-7-6-14(13-22-19)21(30)25-18-12-17(26-27-18)20-23-15-4-2-3-5-16(15)24-20/h2-7,12-13H,8-11H2,1H3,(H,23,24)(H2,25,26,27,30)
• InChIKey: GMVPDLLLWIIKJH-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 105.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 163228456) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)[nH]n3)cn2)CC1.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

The InChIKey is GMVPDLLLWIIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-28-8-10-29(11-9-28)19-7-6-14(13-22-19)21(30)25-18-12-17(26-27-18)20-23-15-4-2-3-5-16(15)24-20/h2-7,12-13H,8-11H2,1H3,(H,23,24)(H2,25,26,27,30).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163228456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).