8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol

C25H25N3O2 — CID 135967648

IUPAC8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1ccc(-c2cn3c(O)c(CC4CCCC4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C25H25N3O2/c29-20-12-10-19(11-13-20)23-16-28-24(21(26-23)14-17-6-2-1-3-7-17)27-22(25(28)30)15-18-8-4-5-9-18/h1-3,6-7,10-13,16,18,29-30H,4-5,8-9,14-15H2
InChIKeyGKFGGSGRDPCTPL-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.13
Rot. Bonds5

About 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol

8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 135967648) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID135967648
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1ccc(-c2cn3c(O)c(CC4CCCC4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C25H25N3O2/c29-20-12-10-19(11-13-20)23-16-28-24(21(26-23)14-17-6-2-1-3-7-17)27-22(25(28)30)15-18-8-4-5-9-18/h1-3,6-7,10-13,16,18,29-30H,4-5,8-9,14-15H2
InChIKeyGKFGGSGRDPCTPL-UHFFFAOYSA-N
XLogP5.13
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 136879456
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 135445694
8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135934880
8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136879455
6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 163908697
8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136859305
6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one
CID 146226121
8-(cyclohexa-1,3-dien-1-ylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 170570292
8-benzyl-2-[[5-(methoxymethyl)furan-2-yl]methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230886
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol
CID 135980278
8-benzyl-2-[(2-methoxypyrimidin-5-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137230838
8-benzyl-6-phenyl-2-(thiadiazol-5-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 137230845

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol (CID 135967648) is 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is Oc1ccc(-c2cn3c(O)c(CC4CCCC4)nc3c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is GKFGGSGRDPCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-20-12-10-19(11-13-20)23-16-28-24(21(26-23)14-17-6-2-1-3-7-17)27-22(25(28)30)15-18-8-4-5-9-18/h1-3,6-7,10-13,16,18,29-30H,4-5,8-9,14-15H2.
What are the key properties of 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol?
8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 399.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 135967648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).