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

C19H15N5O2 — CID 71600253

IUPAC6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1
InChIInChI=1S/C19H15N5O2/c20-14-3-1-13(2-4-14)17-9-15(19(25)26)16-10-22-24(18(16)23-17)11-12-5-7-21-8-6-12/h1-10H,11,20H2,(H,25,26)
InChIKeyIYJJVEDFHDRWTC-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.82
Rot. Bonds4

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

6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600253) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600253
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESNc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1
InChIInChI=1S/C19H15N5O2/c20-14-3-1-13(2-4-14)17-9-15(19(25)26)16-10-22-24(18(16)23-17)11-12-5-7-21-8-6-12/h1-10H,11,20H2,(H,25,26)
InChIKeyIYJJVEDFHDRWTC-UHFFFAOYSA-N
XLogP2.82
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600253) is 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is Nc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is IYJJVEDFHDRWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-14-3-1-13(2-4-14)17-9-15(19(25)26)16-10-22-24(18(16)23-17)11-12-5-7-21-8-6-12/h1-10H,11,20H2,(H,25,26).
What are the key properties of 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).