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

C17H17N3O2S — CID 19616653

IUPAC1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCCC2)c2nc(-c3cccs3)cc(C(=O)O)c12
InChIInChI=1S/C17H17N3O2S/c1-10-15-12(17(21)22)9-13(14-7-4-8-23-14)18-16(15)20(19-10)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyGFBRNSONABEMEA-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.28
Rot. Bonds3

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

1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 19616653) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID19616653
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCCC2)c2nc(-c3cccs3)cc(C(=O)O)c12
InChIInChI=1S/C17H17N3O2S/c1-10-15-12(17(21)22)9-13(14-7-4-8-23-14)18-16(15)20(19-10)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyGFBRNSONABEMEA-UHFFFAOYSA-N
XLogP4.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
3-Methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 4542341
6-(5-chlorothiophen-2-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 9505395
6-(4-Methylsulfonylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600398
6-(4-Methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600543
1-(Pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600808
6-(3-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600809
6-(4-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600810
6-(5-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600936
6-(1-Benzothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600937
6-(5-Acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 19616653) is 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is Cc1nn(C2CCCC2)c2nc(-c3cccs3)cc(C(=O)O)c12.
What is the InChIKey of 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is GFBRNSONABEMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-15-12(17(21)22)9-13(14-7-4-8-23-14)18-16(15)20(19-10)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3,(H,21,22).
What are the key properties of 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 327.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 19616653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).