4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C15H11Cl2N3O2 — CID 134085650

IUPAC4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C)c2nc(C(=O)O)cc(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C15H11Cl2N3O2/c1-7-13-10(9-4-3-8(16)5-11(9)17)6-12(15(21)22)18-14(13)20(2)19-7/h3-6H,1-2H3,(H,21,22)
InChIKeyAKPLVJXKFBZFFH-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.95
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 134085650) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID134085650
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C)c2nc(C(=O)O)cc(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C15H11Cl2N3O2/c1-7-13-10(9-4-3-8(16)5-11(9)17)6-12(15(21)22)18-14(13)20(2)19-7/h3-6H,1-2H3,(H,21,22)
InChIKeyAKPLVJXKFBZFFH-UHFFFAOYSA-N
XLogP3.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085818
1,3,4-trimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 84673110
5-cyano-4-(2,4-dichlorophenyl)-6-methylpyridine-2-carboxamide
CID 53322742
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
N-(4-chloro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609333
4-(4,5-dimethylfuran-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085809
3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22029345
[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 134800603
[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134787345
3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035351
2-(2,4-dichlorophenyl)-1,4,5-trimethylimidazole
CID 102416631

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 134085650) is 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(C)c2nc(C(=O)O)cc(-c3ccc(Cl)cc3Cl)c12.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is AKPLVJXKFBZFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-7-13-10(9-4-3-8(16)5-11(9)17)6-12(15(21)22)18-14(13)20(2)19-7/h3-6H,1-2H3,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 336.18 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 134085650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).