8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C21H13ClFN5O2 — CID 176803912

About 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 176803912) has the molecular formula C21H13ClFN5O2 and a molecular weight of 421.82 g/mol. Its IUPAC name is 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 176803912
• Molecular Formula: C21H13ClFN5O2
• Molecular Weight: 421.82 g/mol
• Exact Mass: 421.07
• IUPAC Name: 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1c(Cc2ccco2)nc2c(-c3cnnc(Cl)c3)nc(-c3cccc(F)c3)cn12
• InChI: InChI=1S/C21H13ClFN5O2/c22-18-8-13(10-24-27-18)19-20-26-16(9-15-5-2-6-30-15)21(29)28(20)11-17(25-19)12-3-1-4-14(23)7-12/h1-8,10-11,29H,9H2
• InChIKey: HDDOZEBDYREHKQ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 89.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.82
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 176803912) is 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1c(Cc2ccco2)nc2c(-c3cnnc(Cl)c3)nc(-c3cccc(F)c3)cn12.

What is the InChIKey of 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is HDDOZEBDYREHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O2/c22-18-8-13(10-24-27-18)19-20-26-16(9-15-5-2-6-30-15)21(29)28(20)11-17(25-19)12-3-1-4-14(23)7-12/h1-8,10-11,29H,9H2.

What are the key properties of 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 421.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 176803912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).