N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C23H30FN3O — CID 20904958

IUPACN-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCC1CCCC(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)C1C
InChIInChI=1S/C23H30FN3O/c1-15-8-6-11-19(16(15)2)25-23(28)21-20-12-4-3-5-13-27(20)22(26-21)17-9-7-10-18(24)14-17/h7,9-10,14-16,19H,3-6,8,11-13H2,1-2H3,(H,25,28)
InChIKeyHBVXLIGLIRIQJU-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.97
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 20904958) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
PubChem CID20904958
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCC1CCCC(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)C1C
InChIInChI=1S/C23H30FN3O/c1-15-8-6-11-19(16(15)2)25-23(28)21-20-12-4-3-5-13-27(20)22(26-21)17-9-7-10-18(24)14-17/h7,9-10,14-16,19H,3-6,8,11-13H2,1-2H3,(H,25,28)
InChIKeyHBVXLIGLIRIQJU-UHFFFAOYSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide 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 N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 20904958) is N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is CC1CCCC(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The InChIKey is HBVXLIGLIRIQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-15-8-6-11-19(16(15)2)25-23(28)21-20-12-4-3-5-13-27(20)22(26-21)17-9-7-10-18(24)14-17/h7,9-10,14-16,19H,3-6,8,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 20904958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).