3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine

C28H19N7 — CID 118322664

About 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine

3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine (PubChem CID 118322664) has the molecular formula C28H19N7 and a molecular weight of 453.51 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
• PubChem CID: 118322664
• Molecular Formula: C28H19N7
• Molecular Weight: 453.51 g/mol
• Exact Mass: 453.17
• IUPAC Name: 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccn5)n5ccccc45)[nH]3)c3ccccn23)nc1
• InChI: InChI=1S/C28H19N7/c1-5-15-29-21(9-1)27-32-25(23-11-3-7-17-34(23)27)19-13-14-20(31-19)26-24-12-4-8-18-35(24)28(33-26)22-10-2-6-16-30-22/h1-18,31H
• InChIKey: BNWKOZOQPBCSKC-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 76.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.51
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?

The IUPAC name of 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine (CID 118322664) is 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine.

What is the SMILES notation for 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?

The canonical SMILES for 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine is c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccn5)n5ccccc45)[nH]3)c3ccccn23)nc1.

What is the InChIKey of 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?

The InChIKey is BNWKOZOQPBCSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N7/c1-5-15-29-21(9-1)27-32-25(23-11-3-7-17-34(23)27)19-13-14-20(31-19)26-24-12-4-8-18-35(24)28(33-26)22-10-2-6-16-30-22/h1-18,31H.

What are the key properties of 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine?

3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine has a molecular weight of 453.51 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 118322664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).