N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one

C64H79F3N10O9 — CID 157471598

About N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one

N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one (PubChem CID 157471598) has the molecular formula C64H79F3N10O9 and a molecular weight of 1189.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one
• PubChem CID: 157471598
• Molecular Formula: C64H79F3N10O9
• Molecular Weight: 1189.39 g/mol
• Exact Mass: 1188.60
• IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one
• SMILES: CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCOC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(F)ccc2N1
• InChI: InChI=1S/C22H27FN4O2.C18H17FN2O3.C10H13NO3.C8H6FNO.C6H16N2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;1-4-24-18(23)16-9(2)15(20-10(16)3)8-13-12-7-11(19)5-6-14(12)21-17(13)22;1-4-14-10(13)9-6(2)8(5-12)11-7(9)3;9-6-1-2-7-5(3-6)4-8(11)10-7;1-3-8(4-2)6-5-7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);5-8,20H,4H2,1-3H3,(H,21,22);5,11H,4H2,1-3H3;1-3H,4H2,(H,10,11);3-7H2,1-2H3/b17-12-;13-8-
• InChIKey: BVCHNZINUDPBRP-ZPVVRMOZSA-N
• XLogP: 10.00
• TPSA: 265.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1189.39
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one?

The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one (CID 157471598) is N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one?

The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one is CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCOC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2cc(F)ccc2N1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one?

The InChIKey is BVCHNZINUDPBRP-ZPVVRMOZSA-N. The full InChI is InChI=1S/C22H27FN4O2.C18H17FN2O3.C10H13NO3.C8H6FNO.C6H16N2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;1-4-24-18(23)16-9(2)15(20-10(16)3)8-13-12-7-11(19)5-6-14(12)21-17(13)22;1-4-14-10(13)9-6(2)8(5-12)11-7(9)3;9-6-1-2-7-5(3-6)4-8(11)10-7;1-3-8(4-2)6-5-7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);5-8,20H,4H2,1-3H3,(H,21,22);5,11H,4H2,1-3H3;1-3H,4H2,(H,10,11);3-7H2,1-2H3/b17-12-;13-8-;;;.

What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one?

N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 1189.39 g/mol, XLogP of 10.00, 17 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 157471598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).