4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H20N4O3 — CID 126742083

IUPAC4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C23H20N4O3/c28-23(29)21-14-19(16-6-8-17(9-7-16)26-10-12-30-13-11-26)20-15-24-27(22(20)25-21)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,28,29)
InChIKeyXWAJDKWIIPPQMV-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.62
Rot. Bonds4

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

4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742083) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742083
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C23H20N4O3/c28-23(29)21-14-19(16-6-8-17(9-7-16)26-10-12-30-13-11-26)20-15-24-27(22(20)25-21)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,28,29)
InChIKeyXWAJDKWIIPPQMV-UHFFFAOYSA-N
XLogP3.62
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742083) is 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is XWAJDKWIIPPQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-23(29)21-14-19(16-6-8-17(9-7-16)26-10-12-30-13-11-26)20-15-24-27(22(20)25-21)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,28,29).
What are the key properties of 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 400.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).