1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C20H15N3O3 — CID 71602212

IUPAC1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(O)cc1
InChIInChI=1S/C20H15N3O3/c24-15-8-6-13(7-9-15)12-23-19-17(11-21-23)16(20(25)26)10-18(22-19)14-4-2-1-3-5-14/h1-11,24H,12H2,(H,25,26)
InChIKeyYQMJKKVWKAKXSJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.55
Rot. Bonds4

About 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71602212) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71602212
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(O)cc1
InChIInChI=1S/C20H15N3O3/c24-15-8-6-13(7-9-15)12-23-19-17(11-21-23)16(20(25)26)10-18(22-19)14-4-2-1-3-5-14/h1-11,24H,12H2,(H,25,26)
InChIKeyYQMJKKVWKAKXSJ-UHFFFAOYSA-N
XLogP3.55
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71602212) is 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is YQMJKKVWKAKXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-15-8-6-13(7-9-15)12-23-19-17(11-21-23)16(20(25)26)10-18(22-19)14-4-2-1-3-5-14/h1-11,24H,12H2,(H,25,26).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71602212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).