4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

C33H40N6O5 — CID 142164138

About 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142164138) has the molecular formula C33H40N6O5 and a molecular weight of 600.72 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 142164138
• Molecular Formula: C33H40N6O5
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.31
• IUPAC Name: 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)CC(O)CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N4CCOCC4)cc32)c1-c1ccc(N)cc1
• InChI: InChI=1S/C33H40N6O5/c1-4-38(5-2)19-24(40)18-35-32(42)29-20(3)36-28(30(29)21-6-9-23(34)10-7-21)17-26-25-16-22(8-11-27(25)37-31(26)41)33(43)39-12-14-44-15-13-39/h6-11,16-17,24,36,40H,4-5,12-15,18-19,34H2,1-3H3,(H,35,42)(H,37,41)/b26-17-
• InChIKey: UVPMTNHRXHJKPZ-ONUIUJJFSA-N
• XLogP: 2.97
• TPSA: 153.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 142164138) is 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CC(O)CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N4CCOCC4)cc32)c1-c1ccc(N)cc1.

What is the InChIKey of 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The InChIKey is UVPMTNHRXHJKPZ-ONUIUJJFSA-N. The full InChI is InChI=1S/C33H40N6O5/c1-4-38(5-2)19-24(40)18-35-32(42)29-20(3)36-28(30(29)21-6-9-23(34)10-7-21)17-26-25-16-22(8-11-27(25)37-31(26)41)33(43)39-12-14-44-15-13-39/h6-11,16-17,24,36,40H,4-5,12-15,18-19,34H2,1-3H3,(H,35,42)(H,37,41)/b26-17-.

What are the key properties of 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 600.72 g/mol, XLogP of 2.97, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminophenyl)-N-[3-(diethylamino)-2-hydroxypropyl]-2-methyl-5-[(Z)-[5-(morpholine-4-carbonyl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142164138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).