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

C20H16N4O3 — CID 71600114

IUPAC6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CO)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C20H16N4O3/c25-12-14-1-3-15(4-2-14)18-9-16(20(26)27)17-10-22-24(19(17)23-18)11-13-5-7-21-8-6-13/h1-10,25H,11-12H2,(H,26,27)
InChIKeyUHGSMCVCGLSUOE-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.73
Rot. Bonds5

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

6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600114) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600114
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CO)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C20H16N4O3/c25-12-14-1-3-15(4-2-14)18-9-16(20(26)27)17-10-22-24(19(17)23-18)11-13-5-7-21-8-6-13/h1-10,25H,11-12H2,(H,26,27)
InChIKeyUHGSMCVCGLSUOE-UHFFFAOYSA-N
XLogP2.73
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600114) is 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(CO)cc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is UHGSMCVCGLSUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-12-14-1-3-15(4-2-14)18-9-16(20(26)27)17-10-22-24(19(17)23-18)11-13-5-7-21-8-6-13/h1-10,25H,11-12H2,(H,26,27).
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).