N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C31H43N7O3 — CID 138404001

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138404001) has the molecular formula C31H43N7O3 and a molecular weight of 561.73 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 138404001
• Molecular Formula: C31H43N7O3
• Molecular Weight: 561.73 g/mol
• Exact Mass: 561.34
• IUPAC Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1CC(C)C(CNC(=O)c2cc(-c3cccc(CNCCN4CCOCC4)c3)nc3c2cnn3C(C)C)C(=O)N1
• InChI: InChI=1S/C31H43N7O3/c1-20(2)38-29-27(19-34-38)25(30(39)33-18-26-21(3)14-22(4)35-31(26)40)16-28(36-29)24-7-5-6-23(15-24)17-32-8-9-37-10-12-41-13-11-37/h5-7,15-16,19-22,26,32H,8-14,17-18H2,1-4H3,(H,33,39)(H,35,40)
• InChIKey: QFEIRMMVOKMYIV-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.73
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 138404001) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1CC(C)C(CNC(=O)c2cc(-c3cccc(CNCCN4CCOCC4)c3)nc3c2cnn3C(C)C)C(=O)N1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is QFEIRMMVOKMYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N7O3/c1-20(2)38-29-27(19-34-38)25(30(39)33-18-26-21(3)14-22(4)35-31(26)40)16-28(36-29)24-7-5-6-23(15-24)17-32-8-9-37-10-12-41-13-11-37/h5-7,15-16,19-22,26,32H,8-14,17-18H2,1-4H3,(H,33,39)(H,35,40).

What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 561.73 g/mol, XLogP of 2.99, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138404001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).