6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C20H16N4O3 — CID 2088728

IUPAC6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C20H16N4O3/c1-12-18-15(20(25)26)11-16(13-6-8-14(27-2)9-7-13)22-19(18)24(23-12)17-5-3-4-10-21-17/h3-11H,1-2H3,(H,25,26)
InChIKeyWPSCGPNIFZAMTL-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.50
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 2088728) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID2088728
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C20H16N4O3/c1-12-18-15(20(25)26)11-16(13-6-8-14(27-2)9-7-13)22-19(18)24(23-12)17-5-3-4-10-21-17/h3-11H,1-2H3,(H,25,26)
InChIKeyWPSCGPNIFZAMTL-UHFFFAOYSA-N
XLogP3.50
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 2088728) is 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4ccccn4)c3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is WPSCGPNIFZAMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-18-15(20(25)26)11-16(13-6-8-14(27-2)9-7-13)22-19(18)24(23-12)17-5-3-4-10-21-17/h3-11H,1-2H3,(H,25,26).
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 2088728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).