N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride

C127H147BrClF6N23O27 — CID 158500646

IUPACN-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCN.COC(=O)CCBr.COC(=O)CCN.COC(=O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCC(=O)NO.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCNC(=O)OC(C)(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O.Cl.NO
InChIInChI=1S/C23H27FN4O4.C20H20FN3O4.C19H19FN4O4.C18H19FN4O2.2C16H13FN2O3.C7H16N2O2.C4H7BrO2.C4H9NO2.ClH.H3NO/c1-12-18(11-16-15-10-14(24)6-7-17(15)28-20(16)29)27-13(2)19(12)21(30)25-8-9-26-22(31)32-23(3,4)5;1-10-16(9-14-13-8-12(21)4-5-15(13)24-19(14)26)23-11(2)18(10)20(27)22-7-6-17(25)28-3;1-9-15(8-13-12-7-11(20)3-4-14(12)23-18(13)26)22-10(2)17(9)19(27)21-6-5-16(25)24-28;1-9-15(22-10(2)16(9)18(25)21-6-5-20)8-13-12-7-11(19)3-4-14(12)23-17(13)24;2*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;1-7(2,3)11-6(10)9-5-4-8;2*1-7-4(6)2-3-5;;1-2/h6-7,10-11,27H,8-9H2,1-5H3,(H,25,30)(H,26,31)(H,28,29);4-5,8-9,23H,6-7H2,1-3H3,(H,22,27)(H,24,26);3-4,7-8,22,28H,5-6H2,1-2H3,(H,21,27)(H,23,26)(H,24,25);3-4,7-8,22H,5-6,20H2,1-2H3,(H,21,25)(H,23,24);2*3-6,18H,1-2H3,(H,19,20)(H,21,22);4-5,8H2,1-3H3,(H,9,10);2-3H2,1H3;2-3,5H2,1H3;1H;2H,1H2/b16-11-;14-9-;2*13-8-;2*11-6-;;;;;
InChIKeyNWAXHMKXVGOYFS-LXJCCKSPSA-N
MW2657.05 g/mol
LogP16.52
Rot. Bonds29

About N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride

N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride (PubChem CID 158500646) has the molecular formula C127H147BrClF6N23O27 and a molecular weight of 2657.05 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride
PubChem CID158500646
Molecular FormulaC127H147BrClF6N23O27
Molecular Weight2657.05 g/mol
Exact Mass2653.96
IUPAC NameN-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCN.COC(=O)CCBr.COC(=O)CCN.COC(=O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCC(=O)NO.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCNC(=O)OC(C)(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O.Cl.NO
InChIInChI=1S/C23H27FN4O4.C20H20FN3O4.C19H19FN4O4.C18H19FN4O2.2C16H13FN2O3.C7H16N2O2.C4H7BrO2.C4H9NO2.ClH.H3NO/c1-12-18(11-16-15-10-14(24)6-7-17(15)28-20(16)29)27-13(2)19(12)21(30)25-8-9-26-22(31)32-23(3,4)5;1-10-16(9-14-13-8-12(21)4-5-15(13)24-19(14)26)23-11(2)18(10)20(27)22-7-6-17(25)28-3;1-9-15(8-13-12-7-11(20)3-4-14(12)23-18(13)26)22-10(2)17(9)19(27)21-6-5-16(25)24-28;1-9-15(22-10(2)16(9)18(25)21-6-5-20)8-13-12-7-11(19)3-4-14(12)23-17(13)24;2*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;1-7(2,3)11-6(10)9-5-4-8;2*1-7-4(6)2-3-5;;1-2/h6-7,10-11,27H,8-9H2,1-5H3,(H,25,30)(H,26,31)(H,28,29);4-5,8-9,23H,6-7H2,1-3H3,(H,22,27)(H,24,26);3-4,7-8,22,28H,5-6H2,1-2H3,(H,21,27)(H,23,26)(H,24,25);3-4,7-8,22H,5-6,20H2,1-2H3,(H,21,25)(H,23,24);2*3-6,18H,1-2H3,(H,19,20)(H,21,22);4-5,8H2,1-3H3,(H,9,10);2-3H2,1H3;2-3,5H2,1H3;1H;2H,1H2/b16-11-;14-9-;2*13-8-;2*11-6-;;;;;
InChIKeyNWAXHMKXVGOYFS-LXJCCKSPSA-N
XLogP16.52
TPSA789.54 Ų
H-Bond Donors27
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002657.05
LogP ≤ 516.52
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

hydroxylamine;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate
CID 91494445
2-[3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoylamino]acetic acid
CID 68843585
N-(3-amino-3-oxopropyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 71035266
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;ethane
CID 143583029
tert-butyl 2-[(4R,6R)-6-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 91441709
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;2-hydroxybenzoic acid
CID 67511624
methyl (2S)-3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-hydroxypropanoate
CID 58773270
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(3-hydroxybutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 143059254
(Z)-but-2-enedioic acid;N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 162335139
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-9H-fluoren-9-yl]methyl N-ethyl-N-[2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate
CID 123862484
N',N'-diethylethane-1,2-diamine;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CID 161332695
(2S)-4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 11992287

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride (CID 158500646) is N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride is CC(C)(C)OC(=O)NCCN.COC(=O)CCBr.COC(=O)CCN.COC(=O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCC(=O)NO.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCNC(=O)OC(C)(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O.Cl.NO.
What is the InChIKey of N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride?
The InChIKey is NWAXHMKXVGOYFS-LXJCCKSPSA-N. The full InChI is InChI=1S/C23H27FN4O4.C20H20FN3O4.C19H19FN4O4.C18H19FN4O2.2C16H13FN2O3.C7H16N2O2.C4H7BrO2.C4H9NO2.ClH.H3NO/c1-12-18(11-16-15-10-14(24)6-7-17(15)28-20(16)29)27-13(2)19(12)21(30)25-8-9-26-22(31)32-23(3,4)5;1-10-16(9-14-13-8-12(21)4-5-15(13)24-19(14)26)23-11(2)18(10)20(27)22-7-6-17(25)28-3;1-9-15(8-13-12-7-11(20)3-4-14(12)23-18(13)26)22-10(2)17(9)19(27)21-6-5-16(25)24-28;1-9-15(22-10(2)16(9)18(25)21-6-5-20)8-13-12-7-11(19)3-4-14(12)23-17(13)24;2*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;1-7(2,3)11-6(10)9-5-4-8;2*1-7-4(6)2-3-5;;1-2/h6-7,10-11,27H,8-9H2,1-5H3,(H,25,30)(H,26,31)(H,28,29);4-5,8-9,23H,6-7H2,1-3H3,(H,22,27)(H,24,26);3-4,7-8,22,28H,5-6H2,1-2H3,(H,21,27)(H,23,26)(H,24,25);3-4,7-8,22H,5-6,20H2,1-2H3,(H,21,25)(H,23,24);2*3-6,18H,1-2H3,(H,19,20)(H,21,22);4-5,8H2,1-3H3,(H,9,10);2-3H2,1H3;2-3,5H2,1H3;1H;2H,1H2/b16-11-;14-9-;2*13-8-;2*11-6-;;;;;.
What are the key properties of N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride?
N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride has a molecular weight of 2657.05 g/mol, XLogP of 16.52, 29 rotatable bonds, 27 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl]carbamate;bis(5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid);5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-(hydroxyamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-bromopropanoate;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 158500646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).