3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

C20H14ClN3O3 — CID 71821260

IUPAC3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C20H14ClN3O3/c1-27-14-8-4-11(5-9-14)16-10-15(20(25)26)17-18(23-24-19(17)22-16)12-2-6-13(21)7-3-12/h2-10H,1H3,(H,25,26)(H,22,23,24)
InChIKeyDQIBILNNBBHBNI-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.65
Rot. Bonds4

About 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 71821260) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID71821260
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C20H14ClN3O3/c1-27-14-8-4-11(5-9-14)16-10-15(20(25)26)17-18(23-24-19(17)22-16)12-2-6-13(21)7-3-12/h2-10H,1H3,(H,25,26)(H,22,23,24)
InChIKeyDQIBILNNBBHBNI-UHFFFAOYSA-N
XLogP4.65
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 71821260) is 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is DQIBILNNBBHBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-27-14-8-4-11(5-9-14)16-10-15(20(25)26)17-18(23-24-19(17)22-16)12-2-6-13(21)7-3-12/h2-10H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid?
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 379.80 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71821260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).