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

C19H13BrN4O2 — CID 71600248

IUPAC6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C19H13BrN4O2/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,11H2,(H,25,26)
InChIKeyGXIDMEYNRRPROK-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.00
Rot. Bonds4

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

6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600248) has the molecular formula C19H13BrN4O2 and a molecular weight of 409.24 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600248
Molecular FormulaC19H13BrN4O2
Molecular Weight409.24 g/mol
Exact Mass408.02
IUPAC Name6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C19H13BrN4O2/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,11H2,(H,25,26)
InChIKeyGXIDMEYNRRPROK-UHFFFAOYSA-N
XLogP4.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600248) is 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)cc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is GXIDMEYNRRPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O2/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,11H2,(H,25,26).
What are the key properties of 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 409.24 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).