4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide

C23H20ClN5O2 — CID 68662294

IUPAC4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide
SMILESCN(C)C(=O)c1cc(-c2cnc3n[nH]c(Cc4cccc(Cl)c4)c3c2)ccc1C(N)=O
InChIInChI=1S/C23H20ClN5O2/c1-29(2)23(31)18-10-14(6-7-17(18)21(25)30)15-11-19-20(27-28-22(19)26-12-15)9-13-4-3-5-16(24)8-13/h3-8,10-12H,9H2,1-2H3,(H2,25,30)(H,26,27,28)
InChIKeyQUSWQCCQNHHBHF-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.67
Rot. Bonds5

About 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide

4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide (PubChem CID 68662294) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide
PubChem CID68662294
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide
SMILESCN(C)C(=O)c1cc(-c2cnc3n[nH]c(Cc4cccc(Cl)c4)c3c2)ccc1C(N)=O
InChIInChI=1S/C23H20ClN5O2/c1-29(2)23(31)18-10-14(6-7-17(18)21(25)30)15-11-19-20(27-28-22(19)26-12-15)9-13-4-3-5-16(24)8-13/h3-8,10-12H,9H2,1-2H3,(H2,25,30)(H,26,27,28)
InChIKeyQUSWQCCQNHHBHF-UHFFFAOYSA-N
XLogP3.67
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide 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-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide?
The IUPAC name of 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide (CID 68662294) is 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide?
The canonical SMILES for 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide is CN(C)C(=O)c1cc(-c2cnc3n[nH]c(Cc4cccc(Cl)c4)c3c2)ccc1C(N)=O.
What is the InChIKey of 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide?
The InChIKey is QUSWQCCQNHHBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-29(2)23(31)18-10-14(6-7-17(18)21(25)30)15-11-19-20(27-28-22(19)26-12-15)9-13-4-3-5-16(24)8-13/h3-8,10-12H,9H2,1-2H3,(H2,25,30)(H,26,27,28).
What are the key properties of 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide?
4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide has a molecular weight of 433.90 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-N,2-N-dimethylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 68662294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).