2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid

C24H19ClN4O4 — CID 163255367

IUPAC2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)c(C(=O)O)c4)cc23)cc1
InChIInChI=1S/C24H19ClN4O4/c1-26-22(30)15-5-3-14(4-6-15)19-13-27-29-10-9-16(11-21(19)29)23(31)28(2)17-7-8-20(25)18(12-17)24(32)33/h3-13H,1-2H3,(H,26,30)(H,32,33)
InChIKeyDCDFVUKPQHTPCC-UHFFFAOYSA-N
MW462.89 g/mol
LogP3.99
Rot. Bonds5

About 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid

2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid (PubChem CID 163255367) has the molecular formula C24H19ClN4O4 and a molecular weight of 462.89 g/mol. Its IUPAC name is 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid
PubChem CID163255367
Molecular FormulaC24H19ClN4O4
Molecular Weight462.89 g/mol
Exact Mass462.11
IUPAC Name2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)c(C(=O)O)c4)cc23)cc1
InChIInChI=1S/C24H19ClN4O4/c1-26-22(30)15-5-3-14(4-6-15)19-13-27-29-10-9-16(11-21(19)29)23(31)28(2)17-7-8-20(25)18(12-17)24(32)33/h3-13H,1-2H3,(H,26,30)(H,32,33)
InChIKeyDCDFVUKPQHTPCC-UHFFFAOYSA-N
XLogP3.99
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.89
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]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-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid (CID 163255367) is 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid is CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)c(C(=O)O)c4)cc23)cc1.
What is the InChIKey of 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid?
The InChIKey is DCDFVUKPQHTPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4/c1-26-22(30)15-5-3-14(4-6-15)19-13-27-29-10-9-16(11-21(19)29)23(31)28(2)17-7-8-20(25)18(12-17)24(32)33/h3-13H,1-2H3,(H,26,30)(H,32,33).
What are the key properties of 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid?
2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid has a molecular weight of 462.89 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoic acid is sourced from PubChem (CID 163255367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).