N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C31H27N7O — CID 136509111

About N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 136509111) has the molecular formula C31H27N7O and a molecular weight of 513.61 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• PubChem CID: 136509111
• Molecular Formula: C31H27N7O
• Molecular Weight: 513.61 g/mol
• Exact Mass: 513.23
• IUPAC Name: N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1)C1CCCCC1
• InChI: InChI=1S/C31H27N7O/c39-31(19-7-2-1-3-8-19)34-22-15-21(17-32-18-22)20-12-13-26-24(16-20)29(38-37-26)30-35-27-11-6-9-23(28(27)36-30)25-10-4-5-14-33-25/h4-6,9-19H,1-3,7-8H2,(H,34,39)(H,35,36)(H,37,38)
• InChIKey: QDCYVCIILDBCQX-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.61
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The IUPAC name of N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 136509111) is N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The canonical SMILES for N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1)C1CCCCC1.

What is the InChIKey of N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The InChIKey is QDCYVCIILDBCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7O/c39-31(19-7-2-1-3-8-19)34-22-15-21(17-32-18-22)20-12-13-26-24(16-20)29(38-37-26)30-35-27-11-6-9-23(28(27)36-30)25-10-4-5-14-33-25/h4-6,9-19H,1-3,7-8H2,(H,34,39)(H,35,36)(H,37,38).

What are the key properties of N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 513.61 g/mol, XLogP of 6.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 136509111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).