7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine

C29H32N8 — CID 136643319

About 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine

7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 136643319) has the molecular formula C29H32N8 and a molecular weight of 492.63 g/mol. Its IUPAC name is 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 136643319
• Molecular Formula: C29H32N8
• Molecular Weight: 492.63 g/mol
• Exact Mass: 492.27
• IUPAC Name: 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• SMILES: c1ncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)cc1CN1CCCCC1
• InChI: InChI=1S/C29H32N8/c1-3-9-36(10-4-1)19-20-13-22(16-30-15-20)21-7-8-24-23(14-21)27(35-34-24)29-32-25-17-31-18-26(28(25)33-29)37-11-5-2-6-12-37/h7-8,13-18H,1-6,9-12,19H2,(H,32,33)(H,34,35)
• InChIKey: VRCYQJSJPBDBKE-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 89.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.63
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (CID 136643319) is 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is c1ncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)cc1CN1CCCCC1.

What is the InChIKey of 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?

The InChIKey is VRCYQJSJPBDBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8/c1-3-9-36(10-4-1)19-20-13-22(16-30-15-20)21-7-8-24-23(14-21)27(35-34-24)29-32-25-17-31-18-26(28(25)33-29)37-11-5-2-6-12-37/h7-8,13-18H,1-6,9-12,19H2,(H,32,33)(H,34,35).

What are the key properties of 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine?

7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 492.63 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136643319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).