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

C21H13ClFN5O3 — CID 176803914

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

8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 176803914) has the molecular formula C21H13ClFN5O3 and a molecular weight of 437.82 g/mol. Its IUPAC name is 8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 176803914
• Molecular Formula: C21H13ClFN5O3
• Molecular Weight: 437.82 g/mol
• Exact Mass: 437.07
• IUPAC Name: 8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(-c3cnnc(Cl)c3)n2)c1F
• InChI: InChI=1S/C21H13ClFN5O3/c22-17-7-11(9-24-27-17)19-20-26-14(8-12-3-2-6-31-12)21(30)28(20)10-15(25-19)13-4-1-5-16(29)18(13)23/h1-7,9-10,29-30H,8H2
• InChIKey: UWUYWZZDOCWLQA-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.82
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 176803914) is 8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(-c3cnnc(Cl)c3)n2)c1F.

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

The InChIKey is UWUYWZZDOCWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O3/c22-17-7-11(9-24-27-17)19-20-26-14(8-12-3-2-6-31-12)21(30)28(20)10-15(25-19)13-4-1-5-16(29)18(13)23/h1-7,9-10,29-30H,8H2.

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

8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 437.82 g/mol, XLogP of 4.24, 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)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 176803914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).