4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C30H32N8O3 — CID 126741696

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

4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741696) has the molecular formula C30H32N8O3 and a molecular weight of 552.64 g/mol. Its IUPAC name is 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 126741696
• Molecular Formula: C30H32N8O3
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.26
• IUPAC Name: 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: CC(C)c1nn(-c2ccnc(N3CCOCC3)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12
• InChI: InChI=1S/C30H32N8O3/c1-19(2)28-27-23(21-3-4-25(33-18-21)36-9-6-20(17-31)7-10-36)16-24(30(39)40)34-29(27)38(35-28)22-5-8-32-26(15-22)37-11-13-41-14-12-37/h3-5,8,15-16,18-20H,6-7,9-14H2,1-2H3,(H,39,40)
• InChIKey: WXZJBIGBPAVJAY-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 133.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741696) is 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

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

The canonical SMILES for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2ccnc(N3CCOCC3)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12.

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

The InChIKey is WXZJBIGBPAVJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O3/c1-19(2)28-27-23(21-3-4-25(33-18-21)36-9-6-20(17-31)7-10-36)16-24(30(39)40)34-29(27)38(35-28)22-5-8-32-26(15-22)37-11-13-41-14-12-37/h3-5,8,15-16,18-20H,6-7,9-14H2,1-2H3,(H,39,40).

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

4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 552.64 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).