N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

C106H123F5N18O15 — CID 159379754

About N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 159379754) has the molecular formula C106H123F5N18O15 and a molecular weight of 1984.25 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
• PubChem CID: 159379754
• Molecular Formula: C106H123F5N18O15
• Molecular Weight: 1984.25 g/mol
• Exact Mass: 1982.93
• IUPAC Name: N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
• SMILES: CC(=O)NCCNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C.CCN(CC)C(O)CNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C.CCN(CCNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C)C(C)O.CCN(CCO)CCNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O
• InChI: InChI=1S/3C23H29FN4O3.C21H23FN4O3.C16H13FN2O3/c1-6-28(15(4)29)10-9-25-23(31)21-13(2)20(27(5)14(21)3)12-18-17-11-16(24)7-8-19(17)26-22(18)30;1-6-28(7-2)20(29)12-25-23(31)21-13(3)19(27(5)14(21)4)11-17-16-10-15(24)8-9-18(16)26-22(17)30;1-5-28(10-11-29)9-8-25-23(31)21-14(2)20(27(4)15(21)3)13-18-17-12-16(24)6-7-19(17)26-22(18)30;1-11-18(10-16-15-9-14(22)5-6-17(15)25-20(16)28)26(4)12(2)19(11)21(29)24-8-7-23-13(3)27;1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h7-8,11-12,15,29H,6,9-10H2,1-5H3,(H,25,31)(H,26,30);8-11,20,29H,6-7,12H2,1-5H3,(H,25,31)(H,26,30);6-7,12-13,29H,5,8-11H2,1-4H3,(H,25,31)(H,26,30);5-6,9-10H,7-8H2,1-4H3,(H,23,27)(H,24,29)(H,25,28);3-6,18H,1-2H3,(H,19,20)(H,21,22)/b18-12-;17-11-;18-13-;16-10-;11-6-
• InChIKey: LKTIXYDCZSFXGM-DQIYYYACSA-N
• XLogP: 12.75
• TPSA: 434.22 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.25
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

The IUPAC name of N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CID 159379754) is N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.

What is the SMILES notation for N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

The canonical SMILES for N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is CC(=O)NCCNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C.CCN(CC)C(O)CNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C.CCN(CCNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C)C(C)O.CCN(CCO)CCNC(=O)c1c(C)c(/C=C2\C(=O)Nc3ccc(F)cc32)n(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O.

What is the InChIKey of N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

The InChIKey is LKTIXYDCZSFXGM-DQIYYYACSA-N. The full InChI is InChI=1S/3C23H29FN4O3.C21H23FN4O3.C16H13FN2O3/c1-6-28(15(4)29)10-9-25-23(31)21-13(2)20(27(5)14(21)3)12-18-17-11-16(24)7-8-19(17)26-22(18)30;1-6-28(7-2)20(29)12-25-23(31)21-13(3)19(27(5)14(21)4)11-17-16-10-15(24)8-9-18(16)26-22(17)30;1-5-28(10-11-29)9-8-25-23(31)21-14(2)20(27(4)15(21)3)13-18-17-12-16(24)6-7-19(17)26-22(18)30;1-11-18(10-16-15-9-14(22)5-6-17(15)25-20(16)28)26(4)12(2)19(11)21(29)24-8-7-23-13(3)27;1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h7-8,11-12,15,29H,6,9-10H2,1-5H3,(H,25,31)(H,26,30);8-11,20,29H,6-7,12H2,1-5H3,(H,25,31)(H,26,30);6-7,12-13,29H,5,8-11H2,1-4H3,(H,25,31)(H,26,30);5-6,9-10H,7-8H2,1-4H3,(H,23,27)(H,24,29)(H,25,28);3-6,18H,1-2H3,(H,19,20)(H,21,22)/b18-12-;17-11-;18-13-;16-10-;11-6-.

What are the key properties of N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?

N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 1984.25 g/mol, XLogP of 12.75, 29 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-(diethylamino)-2-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(1-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,2,4-trimethylpyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 159379754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).