1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C27H25N5O3 — CID 126743328

About 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743328) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 126743328
• Molecular Formula: C27H25N5O3
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.20
• IUPAC Name: 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: CC(C)c1nn(-c2cccc(C#N)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
• InChI: InChI=1S/C27H25N5O3/c1-17(2)25-24-22(19-6-8-20(9-7-19)31-10-12-35-13-11-31)15-23(27(33)34)29-26(24)32(30-25)21-5-3-4-18(14-21)16-28/h3-9,14-15,17H,10-13H2,1-2H3,(H,33,34)
• InChIKey: PRRXYKCMUKJVMI-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 104.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

The IUPAC name of 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743328) is 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

The canonical SMILES for 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2cccc(C#N)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.

What is the InChIKey of 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

The InChIKey is PRRXYKCMUKJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-17(2)25-24-22(19-6-8-20(9-7-19)31-10-12-35-13-11-31)15-23(27(33)34)29-26(24)32(30-25)21-5-3-4-18(14-21)16-28/h3-9,14-15,17H,10-13H2,1-2H3,(H,33,34).

What are the key properties of 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 467.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).