7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine

C29H25N7 — CID 137218647

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

7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 137218647) has the molecular formula C29H25N7 and a molecular weight of 471.57 g/mol. Its IUPAC name is 7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 137218647
• Molecular Formula: C29H25N7
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.22
• IUPAC Name: 7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• SMILES: c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cccc(CN7CCCC7)c6)cc45)nc23)nc1
• InChI: InChI=1S/C29H25N7/c1-2-11-31-24(8-1)23-16-30-17-26-27(23)33-29(32-26)28-22-15-21(9-10-25(22)34-35-28)20-7-5-6-19(14-20)18-36-12-3-4-13-36/h1-2,5-11,14-17H,3-4,12-13,18H2,(H,32,33)(H,34,35)
• InChIKey: ZTFACYVIDJECRI-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (CID 137218647) is 7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cccc(CN7CCCC7)c6)cc45)nc23)nc1.

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

The InChIKey is ZTFACYVIDJECRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7/c1-2-11-31-24(8-1)23-16-30-17-26-27(23)33-29(32-26)28-22-15-21(9-10-25(22)34-35-28)20-7-5-6-19(14-20)18-36-12-3-4-13-36/h1-2,5-11,14-17H,3-4,12-13,18H2,(H,32,33)(H,34,35).

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

7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 471.57 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137218647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).