N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

C29H35N7O2 — CID 139448021

About N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 139448021) has the molecular formula C29H35N7O2 and a molecular weight of 513.65 g/mol. Its IUPAC name is N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
• PubChem CID: 139448021
• Molecular Formula: C29H35N7O2
• Molecular Weight: 513.65 g/mol
• Exact Mass: 513.29
• IUPAC Name: N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
• SMILES: Cn1cc(-c2cc(C(=O)Nc3nc4cc(C5CCN(C6CC6)CC5)ccc4n3CC(C)(C)O)ccn2)cn1
• InChI: InChI=1S/C29H35N7O2/c1-29(2,38)18-36-26-7-4-20(19-9-12-35(13-10-19)23-5-6-23)14-25(26)32-28(36)33-27(37)21-8-11-30-24(15-21)22-16-31-34(3)17-22/h4,7-8,11,14-17,19,23,38H,5-6,9-10,12-13,18H2,1-3H3,(H,32,33,37)
• InChIKey: HINZJIVHAZGARM-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 101.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.65
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?

The IUPAC name of N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (CID 139448021) is N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)Nc3nc4cc(C5CCN(C6CC6)CC5)ccc4n3CC(C)(C)O)ccn2)cn1.

What is the InChIKey of N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?

The InChIKey is HINZJIVHAZGARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2/c1-29(2,38)18-36-26-7-4-20(19-9-12-35(13-10-19)23-5-6-23)14-25(26)32-28(36)33-27(37)21-8-11-30-24(15-21)22-16-31-34(3)17-22/h4,7-8,11,14-17,19,23,38H,5-6,9-10,12-13,18H2,1-3H3,(H,32,33,37).

What are the key properties of N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?

N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 513.65 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-cyclopropylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 139448021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).