1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone

C97H90Cl8F13N9O6 — CID 162017020

IUPAC1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC1CCCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)C1.C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC[C@H]1F
InChIInChI=1S/C25H23Cl2F3N2O2.C24H22Cl2F4N2O.C24H22Cl2F3N3O2.C24H23Cl2F3N2O/c1-14(33)15-7-9-32(10-8-15)24(34)19-5-6-21(26)20(23(19)27)13-18-11-16-3-4-17(25(28,29)30)12-22(16)31(18)2;1-13-12-32(8-7-20(13)27)23(33)17-5-6-19(25)18(22(17)26)11-16-9-14-3-4-15(24(28,29)30)10-21(14)31(16)2;1-14(33)31-7-9-32(10-8-31)23(34)18-5-6-20(25)19(22(18)26)13-17-11-15-3-4-16(24(27,28)29)12-21(15)30(17)2;1-14-4-3-9-31(13-14)23(32)18-7-8-20(25)19(22(18)26)12-17-10-15-5-6-16(24(27,28)29)11-21(15)30(17)2/h3-6,11-12,15H,7-10,13H2,1-2H3;3-6,9-10,13,20H,7-8,11-12H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3;5-8,10-11,14H,3-4,9,12-13H2,1-2H3/t;13-,20-;;/m.1../s1
InChIKeyYUFXJRJMUXBRMD-SEGJQIJXSA-N
MW2008.44 g/mol
LogP25.82
Rot. Bonds13

About 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone

1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 162017020) has the molecular formula C97H90Cl8F13N9O6 and a molecular weight of 2008.44 g/mol. Its IUPAC name is 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID162017020
Molecular FormulaC97H90Cl8F13N9O6
Molecular Weight2008.44 g/mol
Exact Mass2003.43
IUPAC Name1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC1CCCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)C1.C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC[C@H]1F
InChIInChI=1S/C25H23Cl2F3N2O2.C24H22Cl2F4N2O.C24H22Cl2F3N3O2.C24H23Cl2F3N2O/c1-14(33)15-7-9-32(10-8-15)24(34)19-5-6-21(26)20(23(19)27)13-18-11-16-3-4-17(25(28,29)30)12-22(16)31(18)2;1-13-12-32(8-7-20(13)27)23(33)17-5-6-19(25)18(22(17)26)11-16-9-14-3-4-15(24(28,29)30)10-21(14)31(16)2;1-14(33)31-7-9-32(10-8-31)23(34)18-5-6-20(25)19(22(18)26)13-17-11-15-3-4-16(24(27,28)29)12-21(15)30(17)2;1-14-4-3-9-31(13-14)23(32)18-7-8-20(25)19(22(18)26)12-17-10-15-5-6-16(24(27,28)29)11-21(15)30(17)2/h3-6,11-12,15H,7-10,13H2,1-2H3;3-6,9-10,13,20H,7-8,11-12H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3;5-8,10-11,14H,3-4,9,12-13H2,1-2H3/t;13-,20-;;/m.1../s1
InChIKeyYUFXJRJMUXBRMD-SEGJQIJXSA-N
XLogP25.82
TPSA138.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002008.44
LogP ≤ 525.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

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
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
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
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-(1-ethylindol-5-yl)acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 157675599
[2,4-dichloro-3-[[6-(1,1-difluoroethyl)-1-ethyl-4-methylindol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-piperidin-1-ylmethanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-piperidin-1-ylmethanone;1-[2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-6-(1,1-difluoroethyl)-4-methylindol-1-yl]ethanone
CID 157696111
N-[[5-[2-[2-(2-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-ethyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157743557
[1-(4-Chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 157809192
2-[1-[5-(4-Cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 158087128
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
1-[1-[2,4-Dichloro-3-[3,7-dimethyl-5-(trifluoromethyl)indole-1-carbonyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[4,6-dichloro-5-[[3,7-dimethyl-5-(trifluoromethyl)indol-1-yl]methyl]pyridine-3-carbonyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 158366068
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 162017020) is 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC1.CC1CCCN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)C1.C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cc3cc4ccc(C(F)(F)F)cc4n3C)c2Cl)CC[C@H]1F.
What is the InChIKey of 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YUFXJRJMUXBRMD-SEGJQIJXSA-N. The full InChI is InChI=1S/C25H23Cl2F3N2O2.C24H22Cl2F4N2O.C24H22Cl2F3N3O2.C24H23Cl2F3N2O/c1-14(33)15-7-9-32(10-8-15)24(34)19-5-6-21(26)20(23(19)27)13-18-11-16-3-4-17(25(28,29)30)12-22(16)31(18)2;1-13-12-32(8-7-20(13)27)23(33)17-5-6-19(25)18(22(17)26)11-16-9-14-3-4-15(24(28,29)30)10-21(14)31(16)2;1-14(33)31-7-9-32(10-8-31)23(34)18-5-6-20(25)19(22(18)26)13-17-11-15-3-4-16(24(27,28)29)12-21(15)30(17)2;1-14-4-3-9-31(13-14)23(32)18-7-8-20(25)19(22(18)26)12-17-10-15-5-6-16(24(27,28)29)11-21(15)30(17)2/h3-6,11-12,15H,7-10,13H2,1-2H3;3-6,9-10,13,20H,7-8,11-12H2,1-2H3;3-6,11-12H,7-10,13H2,1-2H3;5-8,10-11,14H,3-4,9,12-13H2,1-2H3/t;13-,20-;;/m.1../s1.
What are the key properties of 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone?
1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 2008.44 g/mol, XLogP of 25.82, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 162017020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).