5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide

C30H35N5O4 — CID 142153272

About 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide

5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide (PubChem CID 142153272) has the molecular formula C30H35N5O4 and a molecular weight of 529.64 g/mol. Its IUPAC name is 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide
• PubChem CID: 142153272
• Molecular Formula: C30H35N5O4
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.27
• IUPAC Name: 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide
• SMILES: CCN(CCO)C(=O)c1c[nH]c(/C=C2\C(=O)Nc3cccc(-c4cccc(C(=O)NCCN(C)C)c4)c32)c1C
• InChI: InChI=1S/C30H35N5O4/c1-5-35(14-15-36)30(39)24-18-32-26(19(24)2)17-23-27-22(10-7-11-25(27)33-29(23)38)20-8-6-9-21(16-20)28(37)31-12-13-34(3)4/h6-11,16-18,32,36H,5,12-15H2,1-4H3,(H,31,37)(H,33,38)/b23-17-
• InChIKey: GIKISANHEYFKEJ-QJOMJCCJSA-N
• XLogP: 3.23
• TPSA: 117.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide (CID 142153272) is 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide is CCN(CCO)C(=O)c1c[nH]c(/C=C2\C(=O)Nc3cccc(-c4cccc(C(=O)NCCN(C)C)c4)c32)c1C.

What is the InChIKey of 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide?

The InChIKey is GIKISANHEYFKEJ-QJOMJCCJSA-N. The full InChI is InChI=1S/C30H35N5O4/c1-5-35(14-15-36)30(39)24-18-32-26(19(24)2)17-23-27-22(10-7-11-25(27)33-29(23)38)20-8-6-9-21(16-20)28(37)31-12-13-34(3)4/h6-11,16-18,32,36H,5,12-15H2,1-4H3,(H,31,37)(H,33,38)/b23-17-.

What are the key properties of 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide?

5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 529.64 g/mol, XLogP of 3.23, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[4-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142153272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).