1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate

C136H126Cl10F15N11O17 — CID 157458129

IUPAC1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate
SMILESCC(=O)C1[C@]2(C)CN(C(=O)c3ccc(Cl)c(C(=O)c4cc5c(C)cc(C(F)(F)F)cc5n4C)c3Cl)C[C@]12C.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CN1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.COC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C
InChIInChI=1S/C28H27Cl2F3N2O4.C28H25Cl2F3N2O3.C27H25Cl2F3N2O4.C27H25Cl2F3N2O3.C26H24Cl2F3N3O3/c1-5-39-27(38)17-8-9-35(13-15(17)3)26(37)18-6-7-20(29)23(24(18)30)25(36)22-12-19-14(2)10-16(28(31,32)33)11-21(19)34(22)4;1-13-8-15(28(31,32)33)9-19-17(13)10-20(34(19)5)23(37)21-18(29)7-6-16(22(21)30)25(38)35-11-26(3)24(14(2)36)27(26,4)12-35;1-13-9-15(27(30,31)32)10-20-18(13)11-21(33(20)3)24(35)22-19(28)6-5-17(23(22)29)25(36)34-8-7-16(14(2)12-34)26(37)38-4;1-14-10-17(27(30,31)32)12-21-19(14)13-22(33(21)3)25(36)23-20(28)5-4-18(24(23)29)26(37)34-8-6-16(7-9-34)11-15(2)35;1-14-10-16(26(29,30)31)11-20-18(14)12-21(32(20)3)24(36)22-19(27)5-4-17(23(22)28)25(37)34-8-6-33(7-9-34)13-15(2)35/h6-7,10-12,15,17H,5,8-9,13H2,1-4H3;6-10,24H,11-12H2,1-5H3;5-6,9-11,14,16H,7-8,12H2,1-4H3;4-5,10,12-13,16H,6-9,11H2,1-3H3;4-5,10-12H,6-9,13H2,1-3H3/t15-,17+;24?,26-,27+;14-,16+;;/m1.0../s1
InChIKeyBTPIOTLKVGJURY-AENCNJTBSA-N
MW2826.06 g/mol
LogP32.01
Rot. Bonds23

About 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate

1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate (PubChem CID 157458129) has the molecular formula C136H126Cl10F15N11O17 and a molecular weight of 2826.06 g/mol. Its IUPAC name is 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate
PubChem CID157458129
Molecular FormulaC136H126Cl10F15N11O17
Molecular Weight2826.06 g/mol
Exact Mass2819.60
IUPAC Name1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate
SMILESCC(=O)C1[C@]2(C)CN(C(=O)c3ccc(Cl)c(C(=O)c4cc5c(C)cc(C(F)(F)F)cc5n4C)c3Cl)C[C@]12C.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CN1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.COC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C
InChIInChI=1S/C28H27Cl2F3N2O4.C28H25Cl2F3N2O3.C27H25Cl2F3N2O4.C27H25Cl2F3N2O3.C26H24Cl2F3N3O3/c1-5-39-27(38)17-8-9-35(13-15(17)3)26(37)18-6-7-20(29)23(24(18)30)25(36)22-12-19-14(2)10-16(28(31,32)33)11-21(19)34(22)4;1-13-8-15(28(31,32)33)9-19-17(13)10-20(34(19)5)23(37)21-18(29)7-6-16(22(21)30)25(38)35-11-26(3)24(14(2)36)27(26,4)12-35;1-13-9-15(27(30,31)32)10-20-18(13)11-21(33(20)3)24(35)22-19(28)6-5-17(23(22)29)25(36)34-8-7-16(14(2)12-34)26(37)38-4;1-14-10-17(27(30,31)32)12-21-19(14)13-22(33(21)3)25(36)23-20(28)5-4-18(24(23)29)26(37)34-8-6-16(7-9-34)11-15(2)35;1-14-10-16(26(29,30)31)11-20-18(14)12-21(32(20)3)24(36)22-19(27)5-4-17(23(22)28)25(37)34-8-6-33(7-9-34)13-15(2)35/h6-7,10-12,15,17H,5,8-9,13H2,1-4H3;6-10,24H,11-12H2,1-5H3;5-6,9-11,14,16H,7-8,12H2,1-4H3;4-5,10,12-13,16H,6-9,11H2,1-3H3;4-5,10-12H,6-9,13H2,1-3H3/t15-,17+;24?,26-,27+;14-,16+;;/m1.0../s1
InChIKeyBTPIOTLKVGJURY-AENCNJTBSA-N
XLogP32.01
TPSA318.60 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002826.06
LogP ≤ 532.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate with MolForge

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Related Compounds

ethyl (1S,5R)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate;ethyl 2-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]azetidin-3-yl]acetate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-hydroxypiperidine-3-carboxylate;methyl 2-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]acetate
CID 157162559
1-[1-[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]azetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]oxypropan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]ethanone
CID 157450400
2-(4-acetylcyclohexyl)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]ethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;[2,4-dichloro-3-[(1,4,6-trimethylindol-2-yl)methyl]phenyl]-[(3R,4S)-4-(1-hydroxyethenyl)-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[(1,4,6-trimethylindol-2-yl)methyl]phenyl]-[(3S,4R)-4-(1-hydroxyethenyl)-3-methylpiperidin-1-yl]methanone
CID 157540236
1-[(1R,5S)-3-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylazetidin-3-yl]ethanone;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]pyrrolidin-3-yl]propan-2-one
CID 158123652
Ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-fluoropiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methoxyazetidine-3-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-3-carboxylate
CID 158491472
(4-Cyclobutylpiperazin-1-yl)-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;ethyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidine-4-carboxylate
CID 158514314
2-[[2,6-Dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbonitrile;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]butan-2-one;1-[3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone;3-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]-3-methylbutan-2-one;1-[1-[2,4-dichloro-3-[[1,5-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone
CID 158651179
(4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]phenyl]methanone;ethyl (1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate;ethyl 2-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]acetate;methyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate
CID 158714514
1-[(3R,4R)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-3-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;[3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone;[3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]-2,4-dimethylphenyl]-piperidin-1-ylmethanone
CID 158825907
1-[1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]ethanone;ethyl (3R,4R)-1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;ethyl (3S,4S)-1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl 1-[2,4-dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidine-4-carboxylate
CID 158943656
1-[1-[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-methylpiperidin-4-yl]propan-2-one;4-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one;3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]-3-methylbutan-2-one;1-[1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one
CID 158999844
[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-1,7-dimethylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-7-methyl-1H-indol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[(3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;1-[(3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidin-4-yl]ethanone;ethyl 2-[4-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]acetate
CID 159714117

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate?
The IUPAC name of 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate (CID 157458129) is 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate.
What is the SMILES notation for 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate?
The canonical SMILES for 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate is CC(=O)C1[C@]2(C)CN(C(=O)c3ccc(Cl)c(C(=O)c4cc5c(C)cc(C(F)(F)F)cc5n4C)c3Cl)C[C@]12C.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)CN1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1.CCOC(=O)[C@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@H]1C.COC(=O)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(=O)c3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)C[C@@H]1C.
What is the InChIKey of 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate?
The InChIKey is BTPIOTLKVGJURY-AENCNJTBSA-N. The full InChI is InChI=1S/C28H27Cl2F3N2O4.C28H25Cl2F3N2O3.C27H25Cl2F3N2O4.C27H25Cl2F3N2O3.C26H24Cl2F3N3O3/c1-5-39-27(38)17-8-9-35(13-15(17)3)26(37)18-6-7-20(29)23(24(18)30)25(36)22-12-19-14(2)10-16(28(31,32)33)11-21(19)34(22)4;1-13-8-15(28(31,32)33)9-19-17(13)10-20(34(19)5)23(37)21-18(29)7-6-16(22(21)30)25(38)35-11-26(3)24(14(2)36)27(26,4)12-35;1-13-9-15(27(30,31)32)10-20-18(13)11-21(33(20)3)24(35)22-19(28)6-5-17(23(22)29)25(36)34-8-7-16(14(2)12-34)26(37)38-4;1-14-10-17(27(30,31)32)12-21-19(14)13-22(33(21)3)25(36)23-20(28)5-4-18(24(23)29)26(37)34-8-6-16(7-9-34)11-15(2)35;1-14-10-16(26(29,30)31)11-20-18(14)12-21(32(20)3)24(36)22-19(27)5-4-17(23(22)28)25(37)34-8-6-33(7-9-34)13-15(2)35/h6-7,10-12,15,17H,5,8-9,13H2,1-4H3;6-10,24H,11-12H2,1-5H3;5-6,9-11,14,16H,7-8,12H2,1-4H3;4-5,10,12-13,16H,6-9,11H2,1-3H3;4-5,10-12H,6-9,13H2,1-3H3/t15-,17+;24?,26-,27+;14-,16+;;/m1.0../s1.
What are the key properties of 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate?
1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate has a molecular weight of 2826.06 g/mol, XLogP of 32.01, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone;1-[4-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperazin-1-yl]propan-2-one;1-[1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;ethyl (3S,4S)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate;methyl (3R,4R)-1-[2,4-dichloro-3-[1,4-dimethyl-6-(trifluoromethyl)indole-2-carbonyl]benzoyl]-3-methylpiperidine-4-carboxylate is sourced from PubChem (CID 157458129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).