8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol

C26H23N3O3 — CID 170570292

About 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol

8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 170570292) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 170570292
• Molecular Formula: C26H23N3O3
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.17
• IUPAC Name: 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1ccc(Cc2nc3c(CC4=CC=CCC4)nc(-c4ccc(O)cc4)cn3c2O)cc1
• InChI: InChI=1S/C26H23N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-2,4,6-13,16,30-32H,3,5,14-15H2
• InChIKey: LAFGUQVFRRFXJW-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 90.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (CID 170570292) is 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is Oc1ccc(Cc2nc3c(CC4=CC=CCC4)nc(-c4ccc(O)cc4)cn3c2O)cc1.

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

The InChIKey is LAFGUQVFRRFXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-2,4,6-13,16,30-32H,3,5,14-15H2.

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

8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 425.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 170570292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).