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

C21H14ClN5O3 — CID 176803924

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

8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 176803924) has the molecular formula C21H14ClN5O3 and a molecular weight of 419.83 g/mol. Its IUPAC name is 8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 176803924
• Molecular Formula: C21H14ClN5O3
• Molecular Weight: 419.83 g/mol
• Exact Mass: 419.08
• IUPAC Name: 8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(-c3cnnc(Cl)c3)n2)c1
• InChI: InChI=1S/C21H14ClN5O3/c22-18-8-13(10-23-26-18)19-20-25-16(9-15-5-2-6-30-15)21(29)27(20)11-17(24-19)12-3-1-4-14(28)7-12/h1-8,10-11,28-29H,9H2
• InChIKey: XCFIGCWXGUJGDJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.83
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (CID 176803924) is 8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(-c3cnnc(Cl)c3)n2)c1.

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

The InChIKey is XCFIGCWXGUJGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O3/c22-18-8-13(10-23-26-18)19-20-25-16(9-15-5-2-6-30-15)21(29)27(20)11-17(24-19)12-3-1-4-14(28)7-12/h1-8,10-11,28-29H,9H2.

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

8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 419.83 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 176803924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).