4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

C25H24N8O — CID 89013593

IUPAC4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESCn1cc(CNc2nc3cc(N)ccc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)cn1
InChIInChI=1S/C25H24N8O/c1-32-14-15(12-29-32)11-27-23-24-28-13-22(33(24)21-9-6-18(26)10-20(21)31-23)16-2-4-17(5-3-16)25(34)30-19-7-8-19/h2-6,9-10,12-14,19H,7-8,11,26H2,1H3,(H,27,31)(H,30,34)
InChIKeyIZHZIIYFGIXWTH-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.37
Rot. Bonds6

About 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide

4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (PubChem CID 89013593) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
PubChem CID89013593
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
SMILESCn1cc(CNc2nc3cc(N)ccc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)cn1
InChIInChI=1S/C25H24N8O/c1-32-14-15(12-29-32)11-27-23-24-28-13-22(33(24)21-9-6-18(26)10-20(21)31-23)16-2-4-17(5-3-16)25(34)30-19-7-8-19/h2-6,9-10,12-14,19H,7-8,11,26H2,1H3,(H,27,31)(H,30,34)
InChIKeyIZHZIIYFGIXWTH-UHFFFAOYSA-N
XLogP3.37
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide 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-cyclopropyl-4-[7,8-difluoro-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601296
4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013596
N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
4-[7-cyano-4-(2,2,2-trifluoroethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 66601703
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68761182
4-[7-amino-4-[[(2R)-2,3-dihydroxypropyl]amino]imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013449
4-[7-cyano-4-(furan-2-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide;4-[7-cyano-4-[(1-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 160849745
N-cyclopropyl-4-[7,8-dimethyl-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;1-[4-[4-[(4-fluorophenyl)methylamino]-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 158779628
1-[4-[8-fluoro-4-(4-hydroxybutylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea;1-[4-[8-fluoro-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]-3-methylurea
CID 159231736
2-chloro-4-[7-cyano-4-(pyridin-3-ylmethylamino)imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 68761298
4-[6-[3-(2-amino-2-oxoethyl)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973867
N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 159997775

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide (CID 89013593) is 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is Cn1cc(CNc2nc3cc(N)ccc3n3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)cn1.
What is the InChIKey of 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
The InChIKey is IZHZIIYFGIXWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-32-14-15(12-29-32)11-27-23-24-28-13-22(33(24)21-9-6-18(26)10-20(21)31-23)16-2-4-17(5-3-16)25(34)30-19-7-8-19/h2-6,9-10,12-14,19H,7-8,11,26H2,1H3,(H,27,31)(H,30,34).
What are the key properties of 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide?
4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide has a molecular weight of 452.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 89013593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).