N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H23ClN4O2 — CID 20928251

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C25H23ClN4O2/c1-14-11-21(22(32-3)13-19(14)26)28-25(31)18-12-20(16-9-10-16)27-24-23(18)15(2)29-30(24)17-7-5-4-6-8-17/h4-8,11-13,16H,9-10H2,1-3H3,(H,28,31)
InChIKeyOHTMZEYYVYMRSP-UHFFFAOYSA-N
MW446.94 g/mol
LogP5.83
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 20928251) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID20928251
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C25H23ClN4O2/c1-14-11-21(22(32-3)13-19(14)26)28-25(31)18-12-20(16-9-10-16)27-24-23(18)15(2)29-30(24)17-7-5-4-6-8-17/h4-8,11-13,16H,9-10H2,1-3H3,(H,28,31)
InChIKeyOHTMZEYYVYMRSP-UHFFFAOYSA-N
XLogP5.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide 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 N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 20928251) is N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OHTMZEYYVYMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-14-11-21(22(32-3)13-19(14)26)28-25(31)18-12-20(16-9-10-16)27-24-23(18)15(2)29-30(24)17-7-5-4-6-8-17/h4-8,11-13,16H,9-10H2,1-3H3,(H,28,31).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).