N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C87H94F4N12O17 — CID 91226045

About N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 91226045) has the molecular formula C87H94F4N12O17 and a molecular weight of 1655.77 g/mol. Its IUPAC name is N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 91226045
• Molecular Formula: C87H94F4N12O17
• Molecular Weight: 1655.77 g/mol
• Exact Mass: 1654.68
• IUPAC Name: N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: CCOC(CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)C(C)=O.COC(CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)C(C)=O.COC(CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)CC(=O)O.CO[C@@H](CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)C(C)=O
• InChI: InChI=1S/C23H26FN3O4.C22H24FN3O4.C21H22FN3O5.C21H22FN3O4/c1-5-31-20(14(4)28)8-9-25-23(30)21-12(2)19(26-13(21)3)11-17-16-10-15(24)6-7-18(16)27-22(17)29;1-11-18(10-16-15-9-14(23)5-6-17(15)26-21(16)28)25-12(2)20(11)22(29)24-8-7-19(30-4)13(3)27;1-10-17(8-15-14-6-12(22)4-5-16(14)25-20(15)28)24-11(2)19(10)21(29)23-9-13(30-3)7-18(26)27;1-10-17(8-15-14-7-13(22)5-6-16(14)25-20(15)27)24-11(2)19(10)21(28)23-9-18(29-4)12(3)26/h6-7,10-11,20,26H,5,8-9H2,1-4H3,(H,25,30)(H,27,29);5-6,9-10,19,25H,7-8H2,1-4H3,(H,24,29)(H,26,28);4-6,8,13,24H,7,9H2,1-3H3,(H,23,29)(H,25,28)(H,26,27);5-8,18,24H,9H2,1-4H3,(H,23,28)(H,25,27)/b17-11-;16-10-;2*15-8-/t;19-;;/m.0../s1
• InChIKey: HSXHDRDFNZTLNR-KJDBXOLESA-N
• XLogP: 11.44
• TPSA: 421.39 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1655.77
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 91226045) is N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCOC(CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)C(C)=O.COC(CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)C(C)=O.COC(CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)CC(=O)O.CO[C@@H](CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C)C(C)=O.

What is the InChIKey of N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is HSXHDRDFNZTLNR-KJDBXOLESA-N. The full InChI is InChI=1S/C23H26FN3O4.C22H24FN3O4.C21H22FN3O5.C21H22FN3O4/c1-5-31-20(14(4)28)8-9-25-23(30)21-12(2)19(26-13(21)3)11-17-16-10-15(24)6-7-18(16)27-22(17)29;1-11-18(10-16-15-9-14(23)5-6-17(15)26-21(16)28)25-12(2)20(11)22(29)24-8-7-19(30-4)13(3)27;1-10-17(8-15-14-6-12(22)4-5-16(14)25-20(15)28)24-11(2)19(10)21(29)23-9-13(30-3)7-18(26)27;1-10-17(8-15-14-7-13(22)5-6-16(14)25-20(15)27)24-11(2)19(10)21(28)23-9-18(29-4)12(3)26/h6-7,10-11,20,26H,5,8-9H2,1-4H3,(H,25,30)(H,27,29);5-6,9-10,19,25H,7-8H2,1-4H3,(H,24,29)(H,26,28);4-6,8,13,24H,7,9H2,1-3H3,(H,23,29)(H,25,28)(H,26,27);5-8,18,24H,9H2,1-4H3,(H,23,28)(H,25,27)/b17-11-;16-10-;2*15-8-/t;19-;;/m.0../s1.

What are the key properties of N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 1655.77 g/mol, XLogP of 11.44, 28 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxy-4-oxopentyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-3-methoxybutanoic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-methoxy-3-oxobutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-methoxy-4-oxopentyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91226045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).