1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone

C153H161Cl7F10N18O4 — CID 160547181

IUPAC1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESCCCCn1cc(-c2ccc(N)nc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(C(=O)c4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cccc(F)c4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(C#N)c2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21
InChIInChI=1S/C31H32Cl2N4.C31H32ClF4N3O.C31H31ClF3N3O2.C31H33ClF3N3O.C29H33Cl2N5/c1-2-3-12-37-22-27(25-7-4-6-23(17-25)19-34)26-18-24(10-11-31(26)37)20-35-13-15-36(16-14-35)21-28-29(32)8-5-9-30(28)33;1-2-3-13-39-21-27(23-8-10-25(11-9-23)40-31(34,35)36)26-18-22(7-12-29(26)39)19-37-14-16-38(17-15-37)20-24-5-4-6-28(33)30(24)32;1-2-3-14-38-21-27(23-9-11-24(12-10-23)40-31(33,34)35)26-19-22(8-13-29(26)38)20-36-15-17-37(18-16-36)30(39)25-6-4-5-7-28(25)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-11-36-20-24(22-8-10-29(32)33-17-22)23-16-21(7-9-28(23)36)18-34-12-14-35(15-13-34)19-25-26(30)5-4-6-27(25)31/h4-11,17-18,22H,2-3,12-16,20-21H2,1H3;4-12,18,21H,2-3,13-17,19-20H2,1H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-10,16-17,20H,2-3,11-15,18-19H2,1H3,(H2,32,33)
InChIKeyQXOVHJFGYOYYNX-UHFFFAOYSA-N
MW2754.24 g/mol
LogP38.03
Rot. Bonds42

About 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone

1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 160547181) has the molecular formula C153H161Cl7F10N18O4 and a molecular weight of 2754.24 g/mol. Its IUPAC name is 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone
PubChem CID160547181
Molecular FormulaC153H161Cl7F10N18O4
Molecular Weight2754.24 g/mol
Exact Mass2749.06
IUPAC Name1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESCCCCn1cc(-c2ccc(N)nc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(C(=O)c4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cccc(F)c4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(C#N)c2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21
InChIInChI=1S/C31H32Cl2N4.C31H32ClF4N3O.C31H31ClF3N3O2.C31H33ClF3N3O.C29H33Cl2N5/c1-2-3-12-37-22-27(25-7-4-6-23(17-25)19-34)26-18-24(10-11-31(26)37)20-35-13-15-36(16-14-35)21-28-29(32)8-5-9-30(28)33;1-2-3-13-39-21-27(23-8-10-25(11-9-23)40-31(34,35)36)26-18-22(7-12-29(26)39)19-37-14-16-38(17-15-37)20-24-5-4-6-28(33)30(24)32;1-2-3-14-38-21-27(23-9-11-24(12-10-23)40-31(33,34)35)26-19-22(8-13-29(26)38)20-36-15-17-37(18-16-36)30(39)25-6-4-5-7-28(25)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-11-36-20-24(22-8-10-29(32)33-17-22)23-16-21(7-9-28(23)36)18-34-12-14-35(15-13-34)19-25-26(30)5-4-6-27(25)31/h4-11,17-18,22H,2-3,12-16,20-21H2,1H3;4-12,18,21H,2-3,13-17,19-20H2,1H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-10,16-17,20H,2-3,11-15,18-19H2,1H3,(H2,32,33)
InChIKeyQXOVHJFGYOYYNX-UHFFFAOYSA-N
XLogP38.03
TPSA164.51 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002754.24
LogP ≤ 538.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanone;4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(3-propylphenyl)indol-1-yl]propan-1-amine
CID 157130055
1-[1-[2,4-Dichloro-3-[[1,4-dimethyl-6-(trifluoromethoxy)indol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone;1-[2,6-dichloro-3-(4-methylpiperidine-1-carbonyl)benzoyl]-3,7-dimethylindole-5-carbonitrile;1-[2,6-dichloro-3-[4-(2-oxopropyl)piperidine-1-carbonyl]benzoyl]-3,7-dimethylindole-5-carbonitrile
CID 157280077
2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide
CID 157842645
5-[5-[[5-[(2,6-Dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 158131328
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[5-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile
CID 158197473
1-[2-[1-(3-Aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorophenyl]ethanone;4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-[(dimethylamino)methyl]-4-methoxyphenyl]indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-propyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methoxy-5-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 158222180
4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2,2-dimethylpropan-1-amine;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]propanamide
CID 158775313
1-Butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone
CID 158901233
5-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one
CID 159015494
[3-[1-Butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 159136547
1-Butyl-3-(2-chloro-6-methylphenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indole;[3-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-chloro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 159359768
2-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-ethylphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-fluoro-7-iodo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(5-methyl-3-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 160035069

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone (CID 160547181) is 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone is CCCCn1cc(-c2ccc(N)nc2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(C(=O)c4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cccc(F)c4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cccc(C#N)c2)c2cc(CN3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc21.
What is the InChIKey of 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is QXOVHJFGYOYYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2N4.C31H32ClF4N3O.C31H31ClF3N3O2.C31H33ClF3N3O.C29H33Cl2N5/c1-2-3-12-37-22-27(25-7-4-6-23(17-25)19-34)26-18-24(10-11-31(26)37)20-35-13-15-36(16-14-35)21-28-29(32)8-5-9-30(28)33;1-2-3-13-39-21-27(23-8-10-25(11-9-23)40-31(34,35)36)26-18-22(7-12-29(26)39)19-37-14-16-38(17-15-37)20-24-5-4-6-28(33)30(24)32;1-2-3-14-38-21-27(23-9-11-24(12-10-23)40-31(33,34)35)26-19-22(8-13-29(26)38)20-36-15-17-37(18-16-36)30(39)25-6-4-5-7-28(25)32;1-2-3-14-38-22-28(24-9-11-26(12-10-24)39-31(33,34)35)27-19-23(8-13-30(27)38)20-36-15-17-37(18-16-36)21-25-6-4-5-7-29(25)32;1-2-3-11-36-20-24(22-8-10-29(32)33-17-22)23-16-21(7-9-28(23)36)18-34-12-14-35(15-13-34)19-25-26(30)5-4-6-27(25)31/h4-11,17-18,22H,2-3,12-16,20-21H2,1H3;4-12,18,21H,2-3,13-17,19-20H2,1H3;4-13,19,21H,2-3,14-18,20H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3;4-10,16-17,20H,2-3,11-15,18-19H2,1H3,(H2,32,33).
What are the key properties of 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone?
1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 2754.24 g/mol, XLogP of 38.03, 42 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzonitrile;5-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]pyridin-2-amine;[4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 160547181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).