5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C29H26N8O2 — CID 146373245

About 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 146373245) has the molecular formula C29H26N8O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
• PubChem CID: 146373245
• Molecular Formula: C29H26N8O2
• Molecular Weight: 518.58 g/mol
• Exact Mass: 518.22
• IUPAC Name: 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
• SMILES: O=C(NCc1cccnc1)c1cnc(N2CCN(C(=O)c3c(-c4ccccc4)nc4ccccn34)CC2)cn1
• InChI: InChI=1S/C29H26N8O2/c38-28(33-18-21-7-6-11-30-17-21)23-19-32-25(20-31-23)35-13-15-36(16-14-35)29(39)27-26(22-8-2-1-3-9-22)34-24-10-4-5-12-37(24)27/h1-12,17,19-20H,13-16,18H2,(H,33,38)
• InChIKey: YSAMETZSQPOITQ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 108.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.58
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?

The IUPAC name of 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 146373245) is 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

What is the SMILES notation for 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?

The canonical SMILES for 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1cccnc1)c1cnc(N2CCN(C(=O)c3c(-c4ccccc4)nc4ccccn34)CC2)cn1.

What is the InChIKey of 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?

The InChIKey is YSAMETZSQPOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O2/c38-28(33-18-21-7-6-11-30-17-21)23-19-32-25(20-31-23)35-13-15-36(16-14-35)29(39)27-26(22-8-2-1-3-9-22)34-24-10-4-5-12-37(24)27/h1-12,17,19-20H,13-16,18H2,(H,33,38).

What are the key properties of 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?

5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 146373245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).