3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

C23H20N6O — CID 71036013

IUPAC3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)c12
InChIInChI=1S/C23H20N6O/c24-21-20-19(28-23(15-10-16(30)11-15)29(20)9-8-25-21)14-6-7-17-18(12-14)27-22(26-17)13-4-2-1-3-5-13/h1-9,12,15-16,30H,10-11H2,(H2,24,25)(H,26,27)
InChIKeyIYMNXCPYGVGERH-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.76
Rot. Bonds3

About 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (PubChem CID 71036013) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
PubChem CID71036013
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)c12
InChIInChI=1S/C23H20N6O/c24-21-20-19(28-23(15-10-16(30)11-15)29(20)9-8-25-21)14-6-7-17-18(12-14)27-22(26-17)13-4-2-1-3-5-13/h1-9,12,15-16,30H,10-11H2,(H2,24,25)(H,26,27)
InChIKeyIYMNXCPYGVGERH-UHFFFAOYSA-N
XLogP3.76
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (CID 71036013) is 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is Nc1nccn2c(C3CC(O)C3)nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)c12.
What is the InChIKey of 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The InChIKey is IYMNXCPYGVGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c24-21-20-19(28-23(15-10-16(30)11-15)29(20)9-8-25-21)14-6-7-17-18(12-14)27-22(26-17)13-4-2-1-3-5-13/h1-9,12,15-16,30H,10-11H2,(H2,24,25)(H,26,27).
What are the key properties of 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol has a molecular weight of 396.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-phenyl-3H-benzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 71036013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).