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

C20H14ClN3O2 — CID 4962897

IUPAC1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2/c21-15-8-6-13(7-9-15)12-24-19-17(11-22-24)16(20(25)26)10-18(23-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26)
InChIKeyNKVVZGCELFOGBD-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.50
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 4962897) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID4962897
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2/c21-15-8-6-13(7-9-15)12-24-19-17(11-22-24)16(20(25)26)10-18(23-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26)
InChIKeyNKVVZGCELFOGBD-UHFFFAOYSA-N
XLogP4.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 4962897) is 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is NKVVZGCELFOGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-15-8-6-13(7-9-15)12-24-19-17(11-22-24)16(20(25)26)10-18(23-19)14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 363.80 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 4962897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).