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

C22H19N3O2 — CID 2487436

IUPAC3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4cccc(C)c4)c3n2)cc1
InChIInChI=1S/C22H19N3O2/c1-13-7-9-16(10-8-13)19-12-18(22(26)27)20-15(3)24-25(21(20)23-19)17-6-4-5-14(2)11-17/h4-12H,1-3H3,(H,26,27)
InChIKeyCXMKEEUUOJIDKU-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.71
Rot. Bonds3

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

3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 2487436) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID2487436
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4cccc(C)c4)c3n2)cc1
InChIInChI=1S/C22H19N3O2/c1-13-7-9-16(10-8-13)19-12-18(22(26)27)20-15(3)24-25(21(20)23-19)17-6-4-5-14(2)11-17/h4-12H,1-3H3,(H,26,27)
InChIKeyCXMKEEUUOJIDKU-UHFFFAOYSA-N
XLogP4.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 2487436) is 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4cccc(C)c4)c3n2)cc1.
What is the InChIKey of 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is CXMKEEUUOJIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-7-9-16(10-8-13)19-12-18(22(26)27)20-15(3)24-25(21(20)23-19)17-6-4-5-14(2)11-17/h4-12H,1-3H3,(H,26,27).
What are the key properties of 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylphenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 2487436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).