1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C17H12N4O2S — CID 71600808

IUPAC1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H12N4O2S/c22-17(23)12-8-14(15-2-1-7-24-15)20-16-13(12)9-19-21(16)10-11-3-5-18-6-4-11/h1-9H,10H2,(H,22,23)
InChIKeyRWJIFZAOGWPWAM-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.30
Rot. Bonds4

About 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600808) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600808
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H12N4O2S/c22-17(23)12-8-14(15-2-1-7-24-15)20-16-13(12)9-19-21(16)10-11-3-5-18-6-4-11/h1-9H,10H2,(H,22,23)
InChIKeyRWJIFZAOGWPWAM-UHFFFAOYSA-N
XLogP3.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
1-isopropyl-N-(pyridin-2-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 36931909
1-propan-2-yl-N-pyrimidin-5-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137634456
1-propan-2-yl-N-pyrimidin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137652256
5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
CID 117728730
5-[8-Morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
CID 121596869
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-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600808) is 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is RWJIFZAOGWPWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-17(23)12-8-14(15-2-1-7-24-15)20-16-13(12)9-19-21(16)10-11-3-5-18-6-4-11/h1-9H,10H2,(H,22,23).
What are the key properties of 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 336.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).