2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide

C31H34N8O — CID 136936853

About 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 136936853) has the molecular formula C31H34N8O and a molecular weight of 534.67 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 136936853
• Molecular Formula: C31H34N8O
• Molecular Weight: 534.67 g/mol
• Exact Mass: 534.29
• IUPAC Name: 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C31H34N8O/c40-27(15-20-7-3-1-4-8-20)34-23-16-22(18-32-19-23)21-9-10-25-24(17-21)28(38-37-25)30-35-26-11-12-33-31(29(26)36-30)39-13-5-2-6-14-39/h9-12,16-20H,1-8,13-15H2,(H,34,40)(H,35,36)(H,37,38)
• InChIKey: ZNLZLIYQEPJLOA-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 115.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 136936853) is 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The InChIKey is ZNLZLIYQEPJLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O/c40-27(15-20-7-3-1-4-8-20)34-23-16-22(18-32-19-23)21-9-10-25-24(17-21)28(38-37-25)30-35-26-11-12-33-31(29(26)36-30)39-13-5-2-6-14-39/h9-12,16-20H,1-8,13-15H2,(H,34,40)(H,35,36)(H,37,38).

What are the key properties of 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide?

2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 534.67 g/mol, XLogP of 6.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[5-[3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 136936853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).