2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione

C96H136F3N17O21 — CID 158513783

About 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione

2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione (PubChem CID 158513783) has the molecular formula C96H136F3N17O21 and a molecular weight of 1923.25 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione.

Molecular Properties

• Compound Name: 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione
• PubChem CID: 158513783
• Molecular Formula: C96H136F3N17O21
• Molecular Weight: 1923.25 g/mol
• Exact Mass: 1922.02
• IUPAC Name: 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione
• SMILES: CCN(CCN)CCO.CCN(CCO)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CCO)CCNC(=O)c1c(C)[nH]c(C=O)c1C.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1CCC(=O)O1.O=C1Cc2cc(F)ccc2N1.[2H]NC.[2H]NCOCCCCCCOC(=O)CCC(=O)OCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
• InChI: InChI=1S/C33H46FN5O7.C22H27FN4O3.C14H23N3O3.C8H6FNO.C8H9NO3.C6H16N2O.C4H4O3.CH5N/c1-4-39(15-18-46-30(41)12-11-29(40)45-17-8-6-5-7-16-44-21-35)14-13-36-33(43)31-22(2)28(37-23(31)3)20-26-25-19-24(34)9-10-27(25)38-32(26)42;1-4-27(9-10-28)8-7-24-22(30)20-13(2)19(25-14(20)3)12-17-16-11-15(23)5-6-18(16)26-21(17)29;1-4-17(7-8-18)6-5-15-14(20)13-10(2)12(9-19)16-11(13)3;9-6-1-2-7-5(3-6)4-8(11)10-7;1-4-6(3-10)9-5(2)7(4)8(11)12;1-2-8(4-3-7)5-6-9;5-3-1-2-4(6)7-3;1-2/h9-10,19-20,37H,4-8,11-18,21,35H2,1-3H3,(H,36,43)(H,38,42);5-6,11-12,25,28H,4,7-10H2,1-3H3,(H,24,30)(H,26,29);9,16,18H,4-8H2,1-3H3,(H,15,20);1-3H,4H2,(H,10,11);3,9H,1-2H3,(H,11,12);9H,2-7H2,1H3;1-2H2;2H2,1H3/b26-20-;17-12-;;;;;;/i/hD2
• InChIKey: HLJMFAMYCSIBDT-WGHCUABNSA-N
• XLogP: 7.62
• TPSA: 566.11 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 27
• Rotatable Bonds: 44
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1923.25
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione?

The IUPAC name of 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione (CID 158513783) is 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione.

What is the SMILES notation for 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione?

The canonical SMILES for 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione is CCN(CCN)CCO.CCN(CCO)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CCN(CCO)CCNC(=O)c1c(C)[nH]c(C=O)c1C.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1CCC(=O)O1.O=C1Cc2cc(F)ccc2N1.[2H]NC.[2H]NCOCCCCCCOC(=O)CCC(=O)OCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.

What is the InChIKey of 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione?

The InChIKey is HLJMFAMYCSIBDT-WGHCUABNSA-N. The full InChI is InChI=1S/C33H46FN5O7.C22H27FN4O3.C14H23N3O3.C8H6FNO.C8H9NO3.C6H16N2O.C4H4O3.CH5N/c1-4-39(15-18-46-30(41)12-11-29(40)45-17-8-6-5-7-16-44-21-35)14-13-36-33(43)31-22(2)28(37-23(31)3)20-26-25-19-24(34)9-10-27(25)38-32(26)42;1-4-27(9-10-28)8-7-24-22(30)20-13(2)19(25-14(20)3)12-17-16-11-15(23)5-6-18(16)26-21(17)29;1-4-17(7-8-18)6-5-15-14(20)13-10(2)12(9-19)16-11(13)3;9-6-1-2-7-5(3-6)4-8(11)10-7;1-4-6(3-10)9-5(2)7(4)8(11)12;1-2-8(4-3-7)5-6-9;5-3-1-2-4(6)7-3;1-2/h9-10,19-20,37H,4-8,11-18,21,35H2,1-3H3,(H,36,43)(H,38,42);5-6,11-12,25,28H,4,7-10H2,1-3H3,(H,24,30)(H,26,29);9,16,18H,4-8H2,1-3H3,(H,15,20);1-3H,4H2,(H,10,11);3,9H,1-2H3,(H,11,12);9H,2-7H2,1H3;1-2H2;2H2,1H3/b26-20-;17-12-;;;;;;/i/hD2.

What are the key properties of 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione?

2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione has a molecular weight of 1923.25 g/mol, XLogP of 7.62, 44 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-aminoethyl(ethyl)amino]ethanol;1-O-[6-[(deuterioamino)methoxy]hexyl] 4-O-[2-[ethyl-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]amino]ethyl] butanedioate;N-deuteriomethanamine;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-fluoro-1,3-dihydroindol-2-one;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;oxolane-2,5-dione is sourced from PubChem (CID 158513783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).