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

C29H26N8 — CID 137019479

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

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 137019479) has the molecular formula C29H26N8 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 137019479
• Molecular Formula: C29H26N8
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.23
• IUPAC Name: 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
• SMILES: c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)nc1
• InChI: InChI=1S/C29H26N8/c1-4-12-37(13-5-1)18-19-14-21(17-30-16-19)20-7-8-23-22(15-20)26(36-35-23)29-33-25-9-11-32-27(28(25)34-29)24-6-2-3-10-31-24/h2-3,6-11,14-17H,1,4-5,12-13,18H2,(H,33,34)(H,35,36)
• InChIKey: KHCUYJAQKBQSLX-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 99.27 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	486.58
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (CID 137019479) is 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)nc1.

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

The InChIKey is KHCUYJAQKBQSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8/c1-4-12-37(13-5-1)18-19-14-21(17-30-16-19)20-7-8-23-22(15-20)26(36-35-23)29-33-25-9-11-32-27(28(25)34-29)24-6-2-3-10-31-24/h2-3,6-11,14-17H,1,4-5,12-13,18H2,(H,33,34)(H,35,36).

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

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 486.58 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137019479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).