3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide

C24H21ClN4O2 — CID 25118568

IUPAC3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3Cl)c2n(C)c1=O
InChIInChI=1S/C24H21ClN4O2/c1-14-7-8-15(22(30)27-17-9-10-17)11-18(14)19-12-16-13-26-29(23(16)28(2)24(19)31)21-6-4-3-5-20(21)25/h3-8,11-13,17H,9-10H2,1-2H3,(H,27,30)
InChIKeyTZXZEMSLLCXPNF-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.25
Rot. Bonds4

About 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 25118568) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID25118568
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3Cl)c2n(C)c1=O
InChIInChI=1S/C24H21ClN4O2/c1-14-7-8-15(22(30)27-17-9-10-17)11-18(14)19-12-16-13-26-29(23(16)28(2)24(19)31)21-6-4-3-5-20(21)25/h3-8,11-13,17H,9-10H2,1-2H3,(H,27,30)
InChIKeyTZXZEMSLLCXPNF-UHFFFAOYSA-N
XLogP4.25
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide 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 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide (CID 25118568) is 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccccc3Cl)c2n(C)c1=O.
What is the InChIKey of 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is TZXZEMSLLCXPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-14-7-8-15(22(30)27-17-9-10-17)11-18(14)19-12-16-13-26-29(23(16)28(2)24(19)31)21-6-4-3-5-20(21)25/h3-8,11-13,17H,9-10H2,1-2H3,(H,27,30).
What are the key properties of 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 432.91 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 25118568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).