2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid

C26H23N5O3 — CID 91147473

IUPAC2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid
SMILESCc1ccccc1-n1nc(C)c(-c2ccc3c(c2)N=CC(O)N3)c1Nc1ccccc1C(=O)O
InChIInChI=1S/C26H23N5O3/c1-15-7-3-6-10-22(15)31-25(29-19-9-5-4-8-18(19)26(33)34)24(16(2)30-31)17-11-12-20-21(13-17)27-14-23(32)28-20/h3-14,23,28-29,32H,1-2H3,(H,33,34)
InChIKeyJVHJGNOBTAVEDL-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.04
Rot. Bonds5

About 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid

2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid (PubChem CID 91147473) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid
PubChem CID91147473
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid
SMILESCc1ccccc1-n1nc(C)c(-c2ccc3c(c2)N=CC(O)N3)c1Nc1ccccc1C(=O)O
InChIInChI=1S/C26H23N5O3/c1-15-7-3-6-10-22(15)31-25(29-19-9-5-4-8-18(19)26(33)34)24(16(2)30-31)17-11-12-20-21(13-17)27-14-23(32)28-20/h3-14,23,28-29,32H,1-2H3,(H,33,34)
InChIKeyJVHJGNOBTAVEDL-UHFFFAOYSA-N
XLogP5.04
TPSA111.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid 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 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid?
The IUPAC name of 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid (CID 91147473) is 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid is Cc1ccccc1-n1nc(C)c(-c2ccc3c(c2)N=CC(O)N3)c1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid?
The InChIKey is JVHJGNOBTAVEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-15-7-3-6-10-22(15)31-25(29-19-9-5-4-8-18(19)26(33)34)24(16(2)30-31)17-11-12-20-21(13-17)27-14-23(32)28-20/h3-14,23,28-29,32H,1-2H3,(H,33,34).
What are the key properties of 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid?
2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid has a molecular weight of 453.50 g/mol, XLogP of 5.04, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxy-1,2-dihydroquinoxalin-6-yl)-3-methyl-1-(2-methylphenyl)pyrazol-5-yl]amino]benzoic acid is sourced from PubChem (CID 91147473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).