4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H21ClN4O2 — CID 46883839

IUPAC4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-14-20-21(24)19(13-25-22(20)28(2)27-14)23(29)26-12-16-7-4-5-10-18(16)15-8-6-9-17(11-15)30-3/h4-11,13H,12H2,1-3H3,(H,26,29)
InChIKeyLNCIRKANLWFJFG-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.54
Rot. Bonds5

About 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46883839) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46883839
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-14-20-21(24)19(13-25-22(20)28(2)27-14)23(29)26-12-16-7-4-5-10-18(16)15-8-6-9-17(11-15)30-3/h4-11,13H,12H2,1-3H3,(H,26,29)
InChIKeyLNCIRKANLWFJFG-UHFFFAOYSA-N
XLogP4.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-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 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46883839) is 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1.
What is the InChIKey of 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is LNCIRKANLWFJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-20-21(24)19(13-25-22(20)28(2)27-14)23(29)26-12-16-7-4-5-10-18(16)15-8-6-9-17(11-15)30-3/h4-11,13H,12H2,1-3H3,(H,26,29).
What are the key properties of 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46883839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).