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

C24H23N7 — CID 137134066

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

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137134066) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137134066
• Molecular Formula: C24H23N7
• Molecular Weight: 409.50 g/mol
• Exact Mass: 409.20
• IUPAC Name: 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: c1cnc2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)[nH]c2c1
• InChI: InChI=1S/C24H23N7/c1-2-9-31(10-3-1)15-16-11-18(14-25-13-16)17-6-7-20-19(12-17)22(30-29-20)24-27-21-5-4-8-26-23(21)28-24/h4-8,11-14H,1-3,9-10,15H2,(H,29,30)(H,26,27,28)
• InChIKey: QBDXDDWMERCRMJ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.50
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 137134066) is 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is c1cnc2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)[nH]c2c1.

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

The InChIKey is QBDXDDWMERCRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-2-9-31(10-3-1)15-16-11-18(14-25-13-16)17-6-7-20-19(12-17)22(30-29-20)24-27-21-5-4-8-26-23(21)28-24/h4-8,11-14H,1-3,9-10,15H2,(H,29,30)(H,26,27,28).

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

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 409.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137134066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).