N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione

C134H142FN15O25 — CID 159195417

IUPACN-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=O)N4CCN(C(C)c5ccccc5)CC4)cc23)CC1.COC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3CCN(Cc4ccccc4)CC3)cc12.COC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCN(C(C)c4ccccc4)CC3)cc12.COc1c(C(=O)N2CCC(Cc3ccccc3)CC2)ccc2[nH]cc(C(=O)C(=O)Oc3c(C)occc3=O)c12.COc1cc2[nH]cc(C(=O)C(=O)NCC(O)CO)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C30H28N2O7.C29H34N4O3.C27H30FN3O6.C24H25N3O5.C24H25N3O4/c1-18-27(24(33)12-15-38-18)39-30(36)26(34)22-17-31-23-9-8-21(28(37-2)25(22)23)29(35)32-13-10-20(11-14-32)16-19-6-4-3-5-7-19;1-20-10-12-32(13-11-20)29(36)27(34)25-19-30-26-9-8-23(18-24(25)26)28(35)33-16-14-31(15-17-33)21(2)22-6-4-3-5-7-22;1-37-24-12-23-20(22(14-29-23)25(34)26(35)30-13-19(33)15-32)11-21(24)27(36)31-8-6-17(7-9-31)10-16-2-4-18(28)5-3-16;1-31-21-13-20-17(19(14-25-20)22(28)24(30)32-2)12-18(21)23(29)27-10-8-26(9-11-27)15-16-6-4-3-5-7-16;1-16(17-6-4-3-5-7-17)26-10-12-27(13-11-26)23(29)18-8-9-21-19(14-18)20(15-25-21)22(28)24(30)31-2/h3-9,12,15,17,20,31H,10-11,13-14,16H2,1-2H3;3-9,18-21,30H,10-17H2,1-2H3;2-5,11-12,14,17,19,29,32-33H,6-10,13,15H2,1H3,(H,30,35);3-7,12-14,25H,8-11,15H2,1-2H3;3-9,14-16,25H,10-13H2,1-2H3
InChIKeyKOPFUODBTRSFCU-UHFFFAOYSA-N
MW2381.69 g/mol
LogP16.04
Rot. Bonds32

About N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione

N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione (PubChem CID 159195417) has the molecular formula C134H142FN15O25 and a molecular weight of 2381.69 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione
PubChem CID159195417
Molecular FormulaC134H142FN15O25
Molecular Weight2381.69 g/mol
Exact Mass2380.03
IUPAC NameN-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=O)N4CCN(C(C)c5ccccc5)CC4)cc23)CC1.COC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3CCN(Cc4ccccc4)CC3)cc12.COC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCN(C(C)c4ccccc4)CC3)cc12.COc1c(C(=O)N2CCC(Cc3ccccc3)CC2)ccc2[nH]cc(C(=O)C(=O)Oc3c(C)occc3=O)c12.COc1cc2[nH]cc(C(=O)C(=O)NCC(O)CO)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C30H28N2O7.C29H34N4O3.C27H30FN3O6.C24H25N3O5.C24H25N3O4/c1-18-27(24(33)12-15-38-18)39-30(36)26(34)22-17-31-23-9-8-21(28(37-2)25(22)23)29(35)32-13-10-20(11-14-32)16-19-6-4-3-5-7-19;1-20-10-12-32(13-11-20)29(36)27(34)25-19-30-26-9-8-23(18-24(25)26)28(35)33-16-14-31(15-17-33)21(2)22-6-4-3-5-7-22;1-37-24-12-23-20(22(14-29-23)25(34)26(35)30-13-19(33)15-32)11-21(24)27(36)31-8-6-17(7-9-31)10-16-2-4-18(28)5-3-16;1-31-21-13-20-17(19(14-25-20)22(28)24(30)32-2)12-18(21)23(29)27-10-8-26(9-11-27)15-16-6-4-3-5-7-16;1-16(17-6-4-3-5-7-17)26-10-12-27(13-11-26)23(29)18-8-9-21-19(14-18)20(15-25-21)22(28)24(30)31-2/h3-9,12,15,17,20,31H,10-11,13-14,16H2,1-2H3;3-9,18-21,30H,10-17H2,1-2H3;2-5,11-12,14,17,19,29,32-33H,6-10,13,15H2,1H3,(H,30,35);3-7,12-14,25H,8-11,15H2,1-2H3;3-9,14-16,25H,10-13H2,1-2H3
InChIKeyKOPFUODBTRSFCU-UHFFFAOYSA-N
XLogP16.04
TPSA502.24 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002381.69
LogP ≤ 516.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione with MolForge

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Related Compounds

5-[3-(tert-butylcarbamoyl)phenyl]-N,7-dimethyl-2-(4-methylphenyl)-6H-furo[2,3-e]indole-3-carboxamide;5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6H-furo[2,3-e]indole-3-carboxamide;methyl 2-[5-[3-(tert-butylcarbamoyl)phenyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)-6H-furo[2,3-e]indol-8-yl]-2-oxoacetate;2-[3-(methylcarbamoyl)-2-(4-methylphenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid;N-methyl-8-[2-(methylamino)-2-oxoacetyl]-2-(4-methylphenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 157391786
5-[3-(tert-butylcarbamoyl)phenyl]-8-[2-(dimethylamino)-2-oxoacetyl]-N-methyl-2-(4-methylphenyl)-6H-furo[2,3-e]indole-3-carboxamide;2-[5-[3-(tert-butylcarbamoyl)phenyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid;5-[3-(tert-butylcarbamoyl)phenyl]-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-2-(4-methylphenyl)-6H-furo[2,3-e]indole-3-carboxamide;3-[3-(methylcarbamoyl)-2-(4-methylphenyl)-6H-furo[2,3-e]indol-5-yl]benzoic acid;3-[3-(methylcarbamoyl)-2-(4-methylphenyl)-6-(2,2,2-trifluoroacetyl)furo[2,3-e]indol-5-yl]benzoic acid
CID 160111786
CID 163840354
CID 163840354
N-[[5-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indol-7-yl]furan-2-yl]methyl]-4-azido-2,3,5,6-tetrafluorobenzamide;N-[[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indol-7-yl]furan-2-yl]methyl]benzamide;N-[[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indol-7-yl]furan-2-yl]methyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
CID 167621263
Piperazine, 1-benzoyl-4-[2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,2-dioxoethyl]-& Ac-WQEWEQKITA LLEQAQIQQE KNEYELQKLD KWASLWEWF-NH2
CID 16186132
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CID 137524033
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 157084936
1-(2-fluoro-5-methylphenyl)-3-[4-[[2-[4-[3-(1-hydroxyethenyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]propan-2-one;5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(2-hydroxyprop-2-enyl)-1H-pyrrole-3-carboxamide;N-(2-hydroxybutyl)-5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;1-[4-[[2-[4-[(3R)-3-hydroxypiperidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one
CID 157119880
[(1R,9R,10S,11R,12R)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-10-[(pyridine-4-carbonylamino)methyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-11-yl] acetate;methyl (13S,15R)-13-[(1R,9R,10S,11R,12R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-10-[(pyridine-4-carbonylamino)methyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate
CID 157156582
4-(2,4-difluorophenyl)-2-(1-ethylindol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-[5-(hydroxymethyl)-1H-indol-3-yl]-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methoxy-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(1-methylindol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(1-propan-2-ylindol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(1-propylindol-3-yl)butanoic acid
CID 157158143
1-[2-fluoro-4-[[2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-(4-oxopentyl)-1H-pyrrole-3-carboxamide;5-[4-[3-fluoro-4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;1-[2-fluoro-4-[[2-[4-(3-methylpiperidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-(3-methylphenyl)propan-2-one
CID 157185294
2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione
CID 157299223

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione (CID 159195417) is N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione is CC1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=O)N4CCN(C(C)c5ccccc5)CC4)cc23)CC1.COC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3CCN(Cc4ccccc4)CC3)cc12.COC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCN(C(C)c4ccccc4)CC3)cc12.COc1c(C(=O)N2CCC(Cc3ccccc3)CC2)ccc2[nH]cc(C(=O)C(=O)Oc3c(C)occc3=O)c12.COc1cc2[nH]cc(C(=O)C(=O)NCC(O)CO)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione?
The InChIKey is KOPFUODBTRSFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O7.C29H34N4O3.C27H30FN3O6.C24H25N3O5.C24H25N3O4/c1-18-27(24(33)12-15-38-18)39-30(36)26(34)22-17-31-23-9-8-21(28(37-2)25(22)23)29(35)32-13-10-20(11-14-32)16-19-6-4-3-5-7-19;1-20-10-12-32(13-11-20)29(36)27(34)25-19-30-26-9-8-23(18-24(25)26)28(35)33-16-14-31(15-17-33)21(2)22-6-4-3-5-7-22;1-37-24-12-23-20(22(14-29-23)25(34)26(35)30-13-19(33)15-32)11-21(24)27(36)31-8-6-17(7-9-31)10-16-2-4-18(28)5-3-16;1-31-21-13-20-17(19(14-25-20)22(28)24(30)32-2)12-18(21)23(29)27-10-8-26(9-11-27)15-16-6-4-3-5-7-16;1-16(17-6-4-3-5-7-17)26-10-12-27(13-11-26)23(29)18-8-9-21-19(14-18)20(15-25-21)22(28)24(30)31-2/h3-9,12,15,17,20,31H,10-11,13-14,16H2,1-2H3;3-9,18-21,30H,10-17H2,1-2H3;2-5,11-12,14,17,19,29,32-33H,6-10,13,15H2,1H3,(H,30,35);3-7,12-14,25H,8-11,15H2,1-2H3;3-9,14-16,25H,10-13H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione?
N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione has a molecular weight of 2381.69 g/mol, XLogP of 16.04, 32 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-oxoacetamide;methyl 2-[5-(4-benzylpiperazine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-oxoacetate;methyl 2-oxo-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]acetate;(2-methyl-4-oxopyran-3-yl) 2-[5-(4-benzylpiperidine-1-carbonyl)-4-methoxy-1H-indol-3-yl]-2-oxoacetate;1-(4-methylpiperidin-1-yl)-2-[5-[4-(1-phenylethyl)piperazine-1-carbonyl]-1H-indol-3-yl]ethane-1,2-dione is sourced from PubChem (CID 159195417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).