N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C35H42FN5O5 — CID 156809704

About N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 156809704) has the molecular formula C35H42FN5O5 and a molecular weight of 631.75 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 156809704
• Molecular Formula: C35H42FN5O5
• Molecular Weight: 631.75 g/mol
• Exact Mass: 631.32
• IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(C(=O)CCCC(=O)NCc3ccc(OC)cc3)c3ccc(F)cc32)c1C
• InChI: InChI=1S/C35H42FN5O5/c1-6-40(7-2)18-17-37-34(44)33-22(3)29(39-23(33)4)20-28-27-19-25(36)13-16-30(27)41(35(28)45)32(43)10-8-9-31(42)38-21-24-11-14-26(46-5)15-12-24/h11-16,19-20,39H,6-10,17-18,21H2,1-5H3,(H,37,44)(H,38,42)/b28-20-
• InChIKey: OAUAZIZMNUGUGE-RRAHZORUSA-N
• XLogP: 4.75
• TPSA: 123.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.75
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 156809704) is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(C(=O)CCCC(=O)NCc3ccc(OC)cc3)c3ccc(F)cc32)c1C.

What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is OAUAZIZMNUGUGE-RRAHZORUSA-N. The full InChI is InChI=1S/C35H42FN5O5/c1-6-40(7-2)18-17-37-34(44)33-22(3)29(39-23(33)4)20-28-27-19-25(36)13-16-30(27)41(35(28)45)32(43)10-8-9-31(42)38-21-24-11-14-26(46-5)15-12-24/h11-16,19-20,39H,6-10,17-18,21H2,1-5H3,(H,37,44)(H,38,42)/b28-20-.

What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 631.75 g/mol, XLogP of 4.75, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-[(4-methoxyphenyl)methylamino]-5-oxopentanoyl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 156809704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).