N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide

C25H26N6O — CID 46248995

IUPACN-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(=O)NC3CCCC3)cc2)n1
InChIInChI=1S/C25H26N6O/c1-16-15-17(2)31(30-16)24-23(28-21-9-5-6-10-22(21)29-24)26-20-13-11-18(12-14-20)25(32)27-19-7-3-4-8-19/h5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyCVTZSQMZYVQUJT-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.85
Rot. Bonds5

About N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide

N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide (PubChem CID 46248995) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide
PubChem CID46248995
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide
SMILESCc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(=O)NC3CCCC3)cc2)n1
InChIInChI=1S/C25H26N6O/c1-16-15-17(2)31(30-16)24-23(28-21-9-5-6-10-22(21)29-24)26-20-13-11-18(12-14-20)25(32)27-19-7-3-4-8-19/h5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyCVTZSQMZYVQUJT-UHFFFAOYSA-N
XLogP4.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide 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

N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989729
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165
4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429001
N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 86921667
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide (CID 46248995) is N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide is Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(=O)NC3CCCC3)cc2)n1.
What is the InChIKey of N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide?
The InChIKey is CVTZSQMZYVQUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-16-15-17(2)31(30-16)24-23(28-21-9-5-6-10-22(21)29-24)26-20-13-11-18(12-14-20)25(32)27-19-7-3-4-8-19/h5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,26,28)(H,27,32).
What are the key properties of N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide?
N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide is sourced from PubChem (CID 46248995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).