3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C20H16N4O2 — CID 2414316

IUPAC3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccnc4)nc32)c1
InChIInChI=1S/C20H16N4O2/c1-12-5-3-7-15(9-12)24-19-18(13(2)23-24)16(20(25)26)10-17(22-19)14-6-4-8-21-11-14/h3-11H,1-2H3,(H,25,26)
InChIKeyNHSXXJIWLZJURD-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.80
Rot. Bonds3

About 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 2414316) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID2414316
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccnc4)nc32)c1
InChIInChI=1S/C20H16N4O2/c1-12-5-3-7-15(9-12)24-19-18(13(2)23-24)16(20(25)26)10-17(22-19)14-6-4-8-21-11-14/h3-11H,1-2H3,(H,25,26)
InChIKeyNHSXXJIWLZJURD-UHFFFAOYSA-N
XLogP3.80
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzoic acid
CID 23646627
3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)-benzoic acid
CID 743045
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 129147662
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
4-Cyclohexyl-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 168279014
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
6-[4-(Benzyloxy)phenyl]-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196212

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 2414316) is 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1cccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccnc4)nc32)c1.
What is the InChIKey of 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is NHSXXJIWLZJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-5-3-7-15(9-12)24-19-18(13(2)23-24)16(20(25)26)10-17(22-19)14-6-4-8-21-11-14/h3-11H,1-2H3,(H,25,26).
What are the key properties of 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 2414316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).