1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C21H17N3O2 — CID 113220360

IUPAC1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-14-7-9-16(10-8-14)19-11-17(21(25)26)18-12-22-24(20(18)23-19)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,26)
InChIKeyUYWIDQKZXLXEIS-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.15
Rot. Bonds4

About 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 113220360) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID113220360
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C21H17N3O2/c1-14-7-9-16(10-8-14)19-11-17(21(25)26)18-12-22-24(20(18)23-19)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,26)
InChIKeyUYWIDQKZXLXEIS-UHFFFAOYSA-N
XLogP4.15
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620000
1-benzyl-N-(2-methylsulfonylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535001
6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 9464088
N,N-diethyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25336169
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696785
1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199022
1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 165460221
[4-(1,3,4-oxadiazol-2-yl)phenyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 17455590
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25499383

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 113220360) is 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccccc4)c3n2)cc1.
What is the InChIKey of 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is UYWIDQKZXLXEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-7-9-16(10-8-14)19-11-17(21(25)26)18-12-22-24(20(18)23-19)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 113220360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).