3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C19H15N3O2S — CID 4542341

IUPAC3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccs4)nc32)c1
InChIInChI=1S/C19H15N3O2S/c1-11-5-3-6-13(9-11)22-18-17(12(2)21-22)14(19(23)24)10-15(20-18)16-7-4-8-25-16/h3-10H,1-2H3,(H,23,24)
InChIKeyPBZXIZFRCFFCPV-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.46
Rot. Bonds3

About 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 4542341) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID4542341
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccs4)nc32)c1
InChIInChI=1S/C19H15N3O2S/c1-11-5-3-6-13(9-11)22-18-17(12(2)21-22)14(19(23)24)10-15(20-18)16-7-4-8-25-16/h3-10H,1-2H3,(H,23,24)
InChIKeyPBZXIZFRCFFCPV-UHFFFAOYSA-N
XLogP4.46
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 4542341) is 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1cccc(-n2nc(C)c3c(C(=O)O)cc(-c4cccs4)nc32)c1.
What is the InChIKey of 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is PBZXIZFRCFFCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-5-3-6-13(9-11)22-18-17(12(2)21-22)14(19(23)24)10-15(20-18)16-7-4-8-25-16/h3-10H,1-2H3,(H,23,24).
What are the key properties of 3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
3-methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 349.42 g/mol, XLogP of 4.46, 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-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 4542341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).