2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine

C163H185Cl5F9N21O4 — CID 158276072

IUPAC2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2N)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(C)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.FC(F)(F)Oc1ccc(-c2cn(CCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C35H35ClF3N5O.C33H38ClF3N4O.C32H39ClN4O.C32H39ClN4.C31H34ClF3N4O/c36-32-7-2-1-6-28(32)24-43-20-18-42(19-21-43)23-26-9-14-33-30(22-26)31(27-10-12-29(13-11-27)45-35(37,38)39)25-44(33)17-5-16-41-34-8-3-4-15-40-34;1-2-6-25-20-27(42-33(35,36)37)10-11-28(25)30-23-41(14-5-13-38)32-12-9-24(19-29(30)32)21-39-15-17-40(18-16-39)22-26-7-3-4-8-31(26)34;1-3-25-20-27(38-2)10-11-28(25)30-23-37(14-6-13-34)32-12-9-24(19-29(30)32)21-35-15-17-36(18-16-35)22-26-7-4-5-8-31(26)33;1-3-26-19-24(2)9-11-28(26)30-23-37(14-6-13-34)32-12-10-25(20-29(30)32)21-35-15-17-36(18-16-35)22-27-7-4-5-8-31(27)33;1-2-3-12-39-21-27(25-10-9-24(18-29(25)36)40-31(33,34)35)26-17-22(8-11-30(26)39)19-37-13-15-38(16-14-37)20-23-6-4-5-7-28(23)32/h1-4,6-15,22,25H,5,16-21,23-24H2,(H,40,41);3-4,7-12,19-20,23H,2,5-6,13-18,21-22,38H2,1H3;4-5,7-12,19-20,23H,3,6,13-18,21-22,34H2,1-2H3;4-5,7-12,19-20,23H,3,6,13-18,21-22,34H2,1-2H3;4-11,17-18,21H,2-3,12-16,19-20,36H2,1H3
InChIKeyGJPTVACIQFFJIV-UHFFFAOYSA-N
MW2850.66 g/mol
LogP35.81
Rot. Bonds50

About 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine

2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine (PubChem CID 158276072) has the molecular formula C163H185Cl5F9N21O4 and a molecular weight of 2850.66 g/mol. Its IUPAC name is 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine.

Molecular Properties

Compound Name2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine
PubChem CID158276072
Molecular FormulaC163H185Cl5F9N21O4
Molecular Weight2850.66 g/mol
Exact Mass2846.32
IUPAC Name2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2N)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(C)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.FC(F)(F)Oc1ccc(-c2cn(CCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C35H35ClF3N5O.C33H38ClF3N4O.C32H39ClN4O.C32H39ClN4.C31H34ClF3N4O/c36-32-7-2-1-6-28(32)24-43-20-18-42(19-21-43)23-26-9-14-33-30(22-26)31(27-10-12-29(13-11-27)45-35(37,38)39)25-44(33)17-5-16-41-34-8-3-4-15-40-34;1-2-6-25-20-27(42-33(35,36)37)10-11-28(25)30-23-41(14-5-13-38)32-12-9-24(19-29(30)32)21-39-15-17-40(18-16-39)22-26-7-3-4-8-31(26)34;1-3-25-20-27(38-2)10-11-28(25)30-23-37(14-6-13-34)32-12-9-24(19-29(30)32)21-35-15-17-36(18-16-35)22-26-7-4-5-8-31(26)33;1-3-26-19-24(2)9-11-28(26)30-23-37(14-6-13-34)32-12-10-25(20-29(30)32)21-35-15-17-36(18-16-35)22-27-7-4-5-8-31(27)33;1-2-3-12-39-21-27(25-10-9-24(18-29(25)36)40-31(33,34)35)26-17-22(8-11-30(26)39)19-37-13-15-38(16-14-37)20-23-6-4-5-7-28(23)32/h1-4,6-15,22,25H,5,16-21,23-24H2,(H,40,41);3-4,7-12,19-20,23H,2,5-6,13-18,21-22,38H2,1H3;4-5,7-12,19-20,23H,3,6,13-18,21-22,34H2,1-2H3;4-5,7-12,19-20,23H,3,6,13-18,21-22,34H2,1-2H3;4-11,17-18,21H,2-3,12-16,19-20,36H2,1H3
InChIKeyGJPTVACIQFFJIV-UHFFFAOYSA-N
XLogP35.81
TPSA222.97 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds50
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002850.66
LogP ≤ 535.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine with MolForge

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

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Related Compounds

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(2-chlorophenyl)piperidin-4-amine;1-butyl-5-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[(4-ethylpiperidin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-4-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157052330
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-butyl-5-[4-[(2-chlorophenyl)methyl]piperidin-1-yl]oxy-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157144673
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-chlorophenyl)piperidin-4-amine;1-butyl-5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-3-[4-(trifluoromethoxy)phenyl]indole;3-[5-[[2-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[5-[(4-ethylpiperidin-1-yl)methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 157202683
1-Butyl-5-[[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-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;[4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanamine;1-butyl-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 157334359
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dichlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-phenylindol-1-yl]pentan-1-one;5-[5-[[5-[(2-methoxy-6-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-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-[[5-[[2-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 157386399
1-Butyl-4-[[1-[2-(4-chlorophenoxy)ethyl]-1,3-diazinan-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-4-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 157407041
[2-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(4,4-dimethylpentyl)indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(3-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 157634151
CID 157757722
CID 157757722
7-[4-(aminomethyl)phenyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(2-methoxy-4-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(3-methylphenyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 157766136
1-Butyl-5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[2-(2-chlorophenyl)propan-2-yl]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]phenyl]methanamine;1-butyl-5-[[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-[3-(2-chlorophenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 158007498
1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxy-2-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-(3-pyridin-2-ylpropyl)-3-[4-(trifluoromethoxy)phenyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]pyridin-2-amine;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]-N-pyridin-2-ylpyridin-2-amine
CID 158102531
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
The IUPAC name of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine (CID 158276072) is 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine.
What is the SMILES notation for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
The canonical SMILES for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2N)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(C)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.FC(F)(F)Oc1ccc(-c2cn(CCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.
What is the InChIKey of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
The InChIKey is GJPTVACIQFFJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClF3N5O.C33H38ClF3N4O.C32H39ClN4O.C32H39ClN4.C31H34ClF3N4O/c36-32-7-2-1-6-28(32)24-43-20-18-42(19-21-43)23-26-9-14-33-30(22-26)31(27-10-12-29(13-11-27)45-35(37,38)39)25-44(33)17-5-16-41-34-8-3-4-15-40-34;1-2-6-25-20-27(42-33(35,36)37)10-11-28(25)30-23-41(14-5-13-38)32-12-9-24(19-29(30)32)21-39-15-17-40(18-16-39)22-26-7-3-4-8-31(26)34;1-3-25-20-27(38-2)10-11-28(25)30-23-37(14-6-13-34)32-12-9-24(19-29(30)32)21-35-15-17-36(18-16-35)22-26-7-4-5-8-31(26)33;1-3-26-19-24(2)9-11-28(26)30-23-37(14-6-13-34)32-12-10-25(20-29(30)32)21-35-15-17-36(18-16-35)22-27-7-4-5-8-31(27)33;1-2-3-12-39-21-27(25-10-9-24(18-29(25)36)40-31(33,34)35)26-17-22(8-11-30(26)39)19-37-13-15-38(16-14-37)20-23-6-4-5-7-28(23)32/h1-4,6-15,22,25H,5,16-21,23-24H2,(H,40,41);3-4,7-12,19-20,23H,2,5-6,13-18,21-22,38H2,1H3;4-5,7-12,19-20,23H,3,6,13-18,21-22,34H2,1-2H3;4-5,7-12,19-20,23H,3,6,13-18,21-22,34H2,1-2H3;4-11,17-18,21H,2-3,12-16,19-20,36H2,1H3.
What are the key properties of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine has a molecular weight of 2850.66 g/mol, XLogP of 35.81, 50 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)aniline;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methoxyphenyl)indol-1-yl]propan-1-amine;3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethyl-4-methylphenyl)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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine is sourced from PubChem (CID 158276072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).