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

C20H16N4O2 — CID 2414322

IUPAC3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccnc4)nc32)cc1
InChIInChI=1S/C20H16N4O2/c1-12-5-7-15(8-6-12)24-19-18(13(2)23-24)16(20(25)26)10-17(22-19)14-4-3-9-21-11-14/h3-11H,1-2H3,(H,25,26)
InChIKeyPLTYTLHQVOXBOK-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.80
Rot. Bonds3

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

3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 2414322) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID2414322
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccnc4)nc32)cc1
InChIInChI=1S/C20H16N4O2/c1-12-5-7-15(8-6-12)24-19-18(13(2)23-24)16(20(25)26)10-17(22-19)14-4-3-9-21-11-14/h3-11H,1-2H3,(H,25,26)
InChIKeyPLTYTLHQVOXBOK-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

3-methyl-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247551
3-methyl-1-(3-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2414316
3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2487436
3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154556
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
1-(4-bromophenyl)-3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308004
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
3-(4-methylphenyl)-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 126458786
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 18802094
3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 2551666
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 5009984

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 2414322) is 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1ccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccnc4)nc32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is PLTYTLHQVOXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12-5-7-15(8-6-12)24-19-18(13(2)23-24)16(20(25)26)10-17(22-19)14-4-3-9-21-11-14/h3-11H,1-2H3,(H,25,26).
What are the key properties of 3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-methyl-1-(4-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-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 2414322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).