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

C202H240Cl4F13N25O8 — CID 158222180

IUPAC1-[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
SMILESCC(=O)CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CC(=O)c1cccc(F)c1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(C(C)(C)c4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(C(C)(C)c4cccc(C)c4)CC3)cc12.COc1ccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c(CN(C)C)c1
InChIInChI=1S/C36H45F3N4O2.C35H43F3N4O.C34H38ClF3N4O2.C33H38ClF3N4O.C33H42ClN5O.C31H34ClFN4O/c1-6-27-21-29(45-36(37,38)39)9-10-31(27)33-24-42(13-7-12-40)34-11-8-26(20-32(33)34)23-41-14-16-43(17-15-41)35(3,4)28-18-25(2)19-30(22-28)44-5;1-5-27-22-29(43-35(36,37)38)11-12-30(27)32-24-41(15-7-14-39)33-13-10-26(21-31(32)33)23-40-16-18-42(19-17-40)34(3,4)28-9-6-8-25(2)20-28;1-24(43)7-9-26-20-28(44-34(36,37)38)10-11-29(26)31-23-42(14-4-13-39)33-12-8-25(19-30(31)33)21-40-15-17-41(18-16-40)22-27-5-2-3-6-32(27)35;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;1-36(2)22-27-20-28(40-3)10-11-29(27)31-24-39(14-6-13-35)33-12-9-25(19-30(31)33)21-37-15-17-38(18-16-37)23-26-7-4-5-8-32(26)34;1-22(38)25-7-4-9-29(33)31(25)27-21-37(13-5-12-34)30-11-10-23(18-26(27)30)19-35-14-16-36(17-15-35)20-24-6-2-3-8-28(24)32/h8-11,18-22,24H,6-7,12-17,23,40H2,1-5H3;6,8-13,20-22,24H,5,7,14-19,23,39H2,1-4H3;2-3,5-6,8,10-12,19-20,23H,4,7,9,13-18,21-22,39H2,1H3;3-4,7-12,19-20,23H,2,5-6,13-18,21-22,38H2,1H3;4-5,7-12,19-20,24H,6,13-18,21-23,35H2,1-3H3;2-4,6-11,18,21H,5,12-17,19-20,34H2,1H3
InChIKeyGDJHIXNGHKKQBD-UHFFFAOYSA-N
MW3535.09 g/mol
LogP41.16
Rot. Bonds64

About 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

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 (PubChem CID 158222180) has the molecular formula C202H240Cl4F13N25O8 and a molecular weight of 3535.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158222180
Molecular FormulaC202H240Cl4F13N25O8
Molecular Weight3535.09 g/mol
Exact Mass3530.77
IUPAC Name1-[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
SMILESCC(=O)CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CC(=O)c1cccc(F)c1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(C(C)(C)c4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(C(C)(C)c4cccc(C)c4)CC3)cc12.COc1ccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c(CN(C)C)c1
InChIInChI=1S/C36H45F3N4O2.C35H43F3N4O.C34H38ClF3N4O2.C33H38ClF3N4O.C33H42ClN5O.C31H34ClFN4O/c1-6-27-21-29(45-36(37,38)39)9-10-31(27)33-24-42(13-7-12-40)34-11-8-26(20-32(33)34)23-41-14-16-43(17-15-41)35(3,4)28-18-25(2)19-30(22-28)44-5;1-5-27-22-29(43-35(36,37)38)11-12-30(27)32-24-41(15-7-14-39)33-13-10-26(21-31(32)33)23-40-16-18-42(19-17-40)34(3,4)28-9-6-8-25(2)20-28;1-24(43)7-9-26-20-28(44-34(36,37)38)10-11-29(26)31-23-42(14-4-13-39)33-12-8-25(19-30(31)33)21-40-15-17-41(18-16-40)22-27-5-2-3-6-32(27)35;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;1-36(2)22-27-20-28(40-3)10-11-29(27)31-24-39(14-6-13-35)33-12-9-25(19-30(31)33)21-37-15-17-38(18-16-37)23-26-7-4-5-8-32(26)34;1-22(38)25-7-4-9-29(33)31(25)27-21-37(13-5-12-34)30-11-10-23(18-26(27)30)19-35-14-16-36(17-15-35)20-24-6-2-3-8-28(24)32/h8-11,18-22,24H,6-7,12-17,23,40H2,1-5H3;6,8-13,20-22,24H,5,7,14-19,23,39H2,1-4H3;2-3,5-6,8,10-12,19-20,23H,4,7,9,13-18,21-22,39H2,1H3;3-4,7-12,19-20,23H,2,5-6,13-18,21-22,38H2,1H3;4-5,7-12,19-20,24H,6,13-18,21-23,35H2,1-3H3;2-4,6-11,18,21H,5,12-17,19-20,34H2,1H3
InChIKeyGDJHIXNGHKKQBD-UHFFFAOYSA-N
XLogP41.16
TPSA317.34 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds64
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003535.09
LogP ≤ 541.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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Related Compounds

5-[1-Amino-3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-(methanesulfonamidomethyl)-4-methoxyphenyl]indol-1-yl]propyl]-2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide
CID 129201447
5-[1-Amino-3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[2-(methanesulfonamidomethyl)-4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-3-fluorobenzamide
CID 129201541
N-[3-[5-[[5-[[2,6-bis(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203828
1-(1-Aminocyclohexyl)-5-[6-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;1-(4-amino-1-propanoylpiperidin-4-yl)-5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]pentan-1-one;5-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]-1-piperidin-2-ylpentan-1-one
CID 157050136
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
5-[5-[[5-[(2,6-Difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;3-isocyano-2-[[5-[[1-(5-oxo-5-piperidin-2-ylpentyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile;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-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;2-[[5-[[1-(5-oxo-5-piperidin-2-ylpentyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile
CID 157071289
5-[[4-[(2,6-Dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-pentyl-3-[4-(trifluoromethoxy)phenyl]indole;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentanal;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;methane;methyl formate
CID 157128120
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
tert-butyl N-[3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl N-[3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;methane
CID 157135114
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
5-[5-[[4-[(2,6-Dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 157152995
(2-chloro-4-pyridinyl)-[1'-[(E)-3-(2-fluorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methoxy-1'-[(E)-3-(4-methylphenyl)prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;(2-chloro-4-pyridinyl)-[5-methyl-1'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 157178515

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CC(=O)c1cccc(F)c1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(C(C)(C)c4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(C(C)(C)c4cccc(C)c4)CC3)cc12.COc1ccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c(CN(C)C)c1.
What is the InChIKey of 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?
The InChIKey is GDJHIXNGHKKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45F3N4O2.C35H43F3N4O.C34H38ClF3N4O2.C33H38ClF3N4O.C33H42ClN5O.C31H34ClFN4O/c1-6-27-21-29(45-36(37,38)39)9-10-31(27)33-24-42(13-7-12-40)34-11-8-26(20-32(33)34)23-41-14-16-43(17-15-41)35(3,4)28-18-25(2)19-30(22-28)44-5;1-5-27-22-29(43-35(36,37)38)11-12-30(27)32-24-41(15-7-14-39)33-13-10-26(21-31(32)33)23-40-16-18-42(19-17-40)34(3,4)28-9-6-8-25(2)20-28;1-24(43)7-9-26-20-28(44-34(36,37)38)10-11-29(26)31-23-42(14-4-13-39)33-12-8-25(19-30(31)33)21-40-15-17-41(18-16-40)22-27-5-2-3-6-32(27)35;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;1-36(2)22-27-20-28(40-3)10-11-29(27)31-24-39(14-6-13-35)33-12-9-25(19-30(31)33)21-37-15-17-38(18-16-37)23-26-7-4-5-8-32(26)34;1-22(38)25-7-4-9-29(33)31(25)27-21-37(13-5-12-34)30-11-10-23(18-26(27)30)19-35-14-16-36(17-15-35)20-24-6-2-3-8-28(24)32/h8-11,18-22,24H,6-7,12-17,23,40H2,1-5H3;6,8-13,20-22,24H,5,7,14-19,23,39H2,1-4H3;2-3,5-6,8,10-12,19-20,23H,4,7,9,13-18,21-22,39H2,1H3;3-4,7-12,19-20,23H,2,5-6,13-18,21-22,38H2,1H3;4-5,7-12,19-20,24H,6,13-18,21-23,35H2,1-3H3;2-4,6-11,18,21H,5,12-17,19-20,34H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 3535.09 g/mol, XLogP of 41.16, 64 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158222180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).