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

C31H33N7O — CID 136509153

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

N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 136509153) has the molecular formula C31H33N7O and a molecular weight of 519.65 g/mol. Its IUPAC name is N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• PubChem CID: 136509153
• Molecular Formula: C31H33N7O
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.27
• IUPAC Name: N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1)C1CCCCC1
• InChI: InChI=1S/C31H33N7O/c39-31(20-8-3-1-4-9-20)33-23-16-22(18-32-19-23)21-12-13-25-24(17-21)28(37-36-25)30-34-26-10-7-11-27(29(26)35-30)38-14-5-2-6-15-38/h7,10-13,16-20H,1-6,8-9,14-15H2,(H,33,39)(H,34,35)(H,36,37)
• InChIKey: PIQXWMRHRKXNSK-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 102.59 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	519.65
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 136509153) is N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

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

The canonical SMILES for N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1)C1CCCCC1.

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

The InChIKey is PIQXWMRHRKXNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O/c39-31(20-8-3-1-4-9-20)33-23-16-22(18-32-19-23)21-12-13-25-24(17-21)28(37-36-25)30-34-26-10-7-11-27(29(26)35-30)38-14-5-2-6-15-38/h7,10-13,16-20H,1-6,8-9,14-15H2,(H,33,39)(H,34,35)(H,36,37).

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

N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 519.65 g/mol, XLogP of 6.68, 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-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 136509153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).