furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone

C31H26N8O2 — CID 171574245

About furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 171574245) has the molecular formula C31H26N8O2 and a molecular weight of 542.60 g/mol. Its IUPAC name is furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 171574245
• Molecular Formula: C31H26N8O2
• Molecular Weight: 542.60 g/mol
• Exact Mass: 542.22
• IUPAC Name: furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: O=C(c1ccco1)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6ccccc6)cn45)n3)cn2)CC1
• InChI: InChI=1S/C31H26N8O2/c40-30(27-7-4-18-41-27)38-16-14-37(15-17-38)28-11-9-24(19-33-28)35-31-32-13-12-25(36-31)26-20-34-29-10-8-23(21-39(26)29)22-5-2-1-3-6-22/h1-13,18-21H,14-17H2,(H,32,35,36)
• InChIKey: KSZBEASTOXVPLB-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 104.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.60
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone (CID 171574245) is furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6ccccc6)cn45)n3)cn2)CC1.

What is the InChIKey of furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is KSZBEASTOXVPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N8O2/c40-30(27-7-4-18-41-27)38-16-14-37(15-17-38)28-11-9-24(19-33-28)35-31-32-13-12-25(36-31)26-20-34-29-10-8-23(21-39(26)29)22-5-2-1-3-6-22/h1-13,18-21H,14-17H2,(H,32,35,36).

What are the key properties of furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone?

furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 542.60 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-[5-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 171574245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).