1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C21H23N5O — CID 59198759

IUPAC1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc(C)n(-c2ccc3c(c2)[nH]c(=O)c2cnc(C4CCCCC4)n23)n1
InChIInChI=1S/C21H23N5O/c1-13-10-14(2)26(24-13)16-8-9-18-17(11-16)23-21(27)19-12-22-20(25(18)19)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,27)
InChIKeyKBTXNDHQNLHSTE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.03
Rot. Bonds2

About 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 59198759) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID59198759
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc(C)n(-c2ccc3c(c2)[nH]c(=O)c2cnc(C4CCCCC4)n23)n1
InChIInChI=1S/C21H23N5O/c1-13-10-14(2)26(24-13)16-8-9-18-17(11-16)23-21(27)19-12-22-20(25(18)19)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,27)
InChIKeyKBTXNDHQNLHSTE-UHFFFAOYSA-N
XLogP4.03
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-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 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 59198759) is 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc(C)n(-c2ccc3c(c2)[nH]c(=O)c2cnc(C4CCCCC4)n23)n1.
What is the InChIKey of 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is KBTXNDHQNLHSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-10-14(2)26(24-13)16-8-9-18-17(11-16)23-21(27)19-12-22-20(25(18)19)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,27).
What are the key properties of 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 361.45 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-7-(3,5-dimethylpyrazol-1-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 59198759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).