6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

C27H20N6O — CID 22032509

About 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (PubChem CID 22032509) has the molecular formula C27H20N6O and a molecular weight of 444.50 g/mol. Its IUPAC name is 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
• PubChem CID: 22032509
• Molecular Formula: C27H20N6O
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.17
• IUPAC Name: 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
• SMILES: COc1ccc(-c2ccc(-c3[nH]ncc3-c3ccc4ncc(-c5ccccn5)n4c3)cc2)cn1
• InChI: InChI=1S/C27H20N6O/c1-34-26-12-10-20(14-30-26)18-5-7-19(8-6-18)27-22(15-31-32-27)21-9-11-25-29-16-24(33(25)17-21)23-4-2-3-13-28-23/h2-17H,1H3,(H,31,32)
• InChIKey: KDPKJTHTNLMZJF-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 80.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?

The IUPAC name of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (CID 22032509) is 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.

What is the SMILES notation for 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?

The canonical SMILES for 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is COc1ccc(-c2ccc(-c3[nH]ncc3-c3ccc4ncc(-c5ccccn5)n4c3)cc2)cn1.

What is the InChIKey of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?

The InChIKey is KDPKJTHTNLMZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O/c1-34-26-12-10-20(14-30-26)18-5-7-19(8-6-18)27-22(15-31-32-27)21-9-11-25-29-16-24(33(25)17-21)23-4-2-3-13-28-23/h2-17H,1H3,(H,31,32).

What are the key properties of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?

6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine has a molecular weight of 444.50 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22032509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).