3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C31H34N6O5 — CID 126743041

About 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743041) has the molecular formula C31H34N6O5 and a molecular weight of 570.65 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 126743041
• Molecular Formula: C31H34N6O5
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.26
• IUPAC Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCCC1c1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
• InChI: InChI=1S/C31H34N6O5/c1-31(2,3)42-30(40)36-13-7-10-24(36)27-26-22(20-11-12-25(32-19-20)35-14-16-41-17-15-35)18-23(29(38)39)33-28(26)37(34-27)21-8-5-4-6-9-21/h4-6,8-9,11-12,18-19,24H,7,10,13-17H2,1-3H3,(H,38,39)
• InChIKey: SSLGSYKLZISORH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 122.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743041) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)(C)OC(=O)N1CCCC1c1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12.

What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

The InChIKey is SSLGSYKLZISORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O5/c1-31(2,3)42-30(40)36-13-7-10-24(36)27-26-22(20-11-12-25(32-19-20)35-14-16-41-17-15-35)18-23(29(38)39)33-28(26)37(34-27)21-8-5-4-6-9-21/h4-6,8-9,11-12,18-19,24H,7,10,13-17H2,1-3H3,(H,38,39).

What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 570.65 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).