2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide

C19H15ClN4O — CID 13120754

IUPAC2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide
SMILESNC(=O)Cn1ncc2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C19H15ClN4O/c20-13-6-7-14-15(8-13)19(12-4-2-1-3-5-12)22-10-17-16(14)9-23-24(17)11-18(21)25/h1-9H,10-11H2,(H2,21,25)
InChIKeyCIFGQFZZVQEPOY-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.04
Rot. Bonds3

About 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide

2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide (PubChem CID 13120754) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide.

Molecular Properties

Compound Name2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide
PubChem CID13120754
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide
SMILESNC(=O)Cn1ncc2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C19H15ClN4O/c20-13-6-7-14-15(8-13)19(12-4-2-1-3-5-12)22-10-17-16(14)9-23-24(17)11-18(21)25/h1-9H,10-11H2,(H2,21,25)
InChIKeyCIFGQFZZVQEPOY-UHFFFAOYSA-N
XLogP3.04
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide 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

8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12802015
7-chloro-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 50852055
2-(7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetamide
CID 3054334
1-acetyl-7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570847
8-chloro-N,N-diethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide
CID 21486014
7-chloro-5-phenyl-1-(2-piperidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
CID 13997
7-chloro-5-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
CID 76974323
4-aminobutanoic acid;8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 129031158
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 623112
8-chloro-N,N-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide
CID 21486010
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;N,N-dimethylacetamide
CID 70378031
9-chloro-7-phenyl-2,5-dihydropyrimido[4,5-d][2]benzazepin-1-one
CID 135759062

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide?
The IUPAC name of 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide (CID 13120754) is 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide.
What is the SMILES notation for 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide?
The canonical SMILES for 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide is NC(=O)Cn1ncc2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2.
What is the InChIKey of 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide?
The InChIKey is CIFGQFZZVQEPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-13-6-7-14-15(8-13)19(12-4-2-1-3-5-12)22-10-17-16(14)9-23-24(17)11-18(21)25/h1-9H,10-11H2,(H2,21,25).
What are the key properties of 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide?
2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide has a molecular weight of 350.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-6-phenyl-4H-pyrazolo[5,4-d][2]benzazepin-3-yl)acetamide is sourced from PubChem (CID 13120754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).