6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C19H14N4O3 — CID 71600112

IUPAC6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C19H14N4O3/c24-14-3-1-2-13(8-14)17-9-15(19(25)26)16-10-21-23(18(16)22-17)11-12-4-6-20-7-5-12/h1-10,24H,11H2,(H,25,26)
InChIKeyVJFROIGSSORNEB-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.95
Rot. Bonds4

About 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600112) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600112
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C19H14N4O3/c24-14-3-1-2-13(8-14)17-9-15(19(25)26)16-10-21-23(18(16)22-17)11-12-4-6-20-7-5-12/h1-10,24H,11H2,(H,25,26)
InChIKeyVJFROIGSSORNEB-UHFFFAOYSA-N
XLogP2.95
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600112) is 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cccc(O)c2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is VJFROIGSSORNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-14-3-1-2-13(8-14)17-9-15(19(25)26)16-10-21-23(18(16)22-17)11-12-4-6-20-7-5-12/h1-10,24H,11H2,(H,25,26).
What are the key properties of 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 346.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).