8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C22H19N5O — CID 130439797

IUPAC8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESNC(=O)c1ncn2c1CN=C(c1ccccn1)c1cc(C34CC(C3)C4)ccc1-2
InChIInChI=1S/C22H19N5O/c23-21(28)20-18-11-25-19(16-3-1-2-6-24-16)15-7-14(22-8-13(9-22)10-22)4-5-17(15)27(18)12-26-20/h1-7,12-13H,8-11H2,(H2,23,28)
InChIKeyGHGDSRFYOKETQH-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.77
Rot. Bonds3

About 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 130439797) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID130439797
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESNC(=O)c1ncn2c1CN=C(c1ccccn1)c1cc(C34CC(C3)C4)ccc1-2
InChIInChI=1S/C22H19N5O/c23-21(28)20-18-11-25-19(16-3-1-2-6-24-16)15-7-14(22-8-13(9-22)10-22)4-5-17(15)27(18)12-26-20/h1-7,12-13H,8-11H2,(H2,23,28)
InChIKeyGHGDSRFYOKETQH-UHFFFAOYSA-N
XLogP2.77
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
N-(cyclobutylmethyl)-3-[[4-(imidazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 11683612
MP-III-022
CID 130439777
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide
CID 51003643
N-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)-1H-imidazole-4-carboxamide
CID 3841300
N-(4-isopropylphenyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439365
N-[2-(4-tert-butylanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 145963105
(4R)-8-Ethynyl-6-(2-fluorophenyl)-N,N,4-trimethyl-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxamide
CID 130439778
3-methyl-N-(4-phenylphenyl)-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide
CID 44439366
N-[3-(4-tert-butylanilino)propyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 145961932
1-[2-[[1-(3-Fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide
CID 148519207
8-ethynyl-N-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 49848318

Frequently Asked Questions

What is the IUPAC name of 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 130439797) is 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is NC(=O)c1ncn2c1CN=C(c1ccccn1)c1cc(C34CC(C3)C4)ccc1-2.
What is the InChIKey of 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The InChIKey is GHGDSRFYOKETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-21(28)20-18-11-25-19(16-3-1-2-6-24-16)15-7-14(22-8-13(9-22)10-22)4-5-17(15)27(18)12-26-20/h1-7,12-13H,8-11H2,(H2,23,28).
What are the key properties of 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 130439797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).