1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C22H18ClN3O2 — CID 151689224

IUPAC1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccccc3)cc(C(=O)O)c12
InChIInChI=1S/C22H18ClN3O2/c1-13(2)20-19-17(22(27)28)12-18(14-6-4-3-5-7-14)24-21(19)26(25-20)16-10-8-15(23)9-11-16/h3-13H,1-2H3,(H,27,28)
InChIKeyRCEVFFLFMQPFTH-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.56
Rot. Bonds4

About 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 151689224) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID151689224
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccccc3)cc(C(=O)O)c12
InChIInChI=1S/C22H18ClN3O2/c1-13(2)20-19-17(22(27)28)12-18(14-6-4-3-5-7-14)24-21(19)26(25-20)16-10-8-15(23)9-11-16/h3-13H,1-2H3,(H,27,28)
InChIKeyRCEVFFLFMQPFTH-UHFFFAOYSA-N
XLogP5.56
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 151689224) is 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccccc3)cc(C(=O)O)c12.
What is the InChIKey of 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is RCEVFFLFMQPFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-13(2)20-19-17(22(27)28)12-18(14-6-4-3-5-7-14)24-21(19)26(25-20)16-10-8-15(23)9-11-16/h3-13H,1-2H3,(H,27,28).
What are the key properties of 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 391.86 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-phenyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 151689224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).