2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide

C34H35N7O4 — CID 91466833

About 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide (PubChem CID 91466833) has the molecular formula C34H35N7O4 and a molecular weight of 605.70 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 91466833
• Molecular Formula: C34H35N7O4
• Molecular Weight: 605.70 g/mol
• Exact Mass: 605.28
• IUPAC Name: 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4/C=N/c3ccc(NCCN4CCOCC4)cc3)c2)n(C)n1
• InChI: InChI=1S/C34H35N7O4/c1-22-18-31(40(2)39-22)34(44)37-27-5-3-4-23(19-27)32(42)24-6-11-28-29(33(43)38-30(28)20-24)21-36-26-9-7-25(8-10-26)35-12-13-41-14-16-45-17-15-41/h3-11,18-21,29,35H,12-17H2,1-2H3,(H,37,44)(H,38,43)/b36-21+
• InChIKey: KOOOKZPOXMEAPL-QLQYKETESA-N
• XLogP: 4.39
• TPSA: 129.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.70
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide (CID 91466833) is 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4/C=N/c3ccc(NCCN4CCOCC4)cc3)c2)n(C)n1.

What is the InChIKey of 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide?

The InChIKey is KOOOKZPOXMEAPL-QLQYKETESA-N. The full InChI is InChI=1S/C34H35N7O4/c1-22-18-31(40(2)39-22)34(44)37-27-5-3-4-23(19-27)32(42)24-6-11-28-29(33(43)38-30(28)20-24)21-36-26-9-7-25(8-10-26)35-12-13-41-14-16-45-17-15-41/h3-11,18-21,29,35H,12-17H2,1-2H3,(H,37,44)(H,38,43)/b36-21+.

What are the key properties of 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide?

2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 605.70 g/mol, XLogP of 4.39, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91466833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).