3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one

C27H19N5O — CID 24984854

IUPAC3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc4ncccc34)nc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H19N5O/c33-27-31-25-26(30-23(17-29-25)21-13-7-15-22-20(21)14-8-16-28-22)32(27)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,24H,(H,29,31,33)
InChIKeyZPKIIKLGZKVLEC-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.97
Rot. Bonds4

About 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24984854) has the molecular formula C27H19N5O and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24984854
Molecular FormulaC27H19N5O
Molecular Weight429.48 g/mol
Exact Mass429.16
IUPAC Name3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc4ncccc34)nc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H19N5O/c33-27-31-25-26(30-23(17-29-25)21-13-7-15-22-20(21)14-8-16-28-22)32(27)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,24H,(H,29,31,33)
InChIKeyZPKIIKLGZKVLEC-UHFFFAOYSA-N
XLogP4.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one 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-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 24984854) is 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3cccc4ncccc34)nc2n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is ZPKIIKLGZKVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O/c33-27-31-25-26(30-23(17-29-25)21-13-7-15-22-20(21)14-8-16-28-22)32(27)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,24H,(H,29,31,33).
What are the key properties of 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 429.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24984854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).