4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine

C169H199Cl2F15N20O7 — CID 158372332

IUPAC4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
SMILESCC(=O)CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(C(C)(C)c4cccc(C)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc(C)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC)cc2CN(C)C)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C35H43F3N4O.C34H38ClF3N4O2.C34H43ClN4O.C33H36F6N4O2.C33H39F3N4O/c1-5-6-14-41-24-32(30-12-11-29(21-27(30)22-39)43-35(36,37)38)31-20-26(10-13-33(31)41)23-40-15-17-42(18-16-40)34(3,4)28-9-7-8-25(2)19-28;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;1-5-6-15-39-25-32(30-13-12-29(40-4)21-28(30)23-36(2)3)31-20-26(11-14-34(31)39)22-37-16-18-38(19-17-37)24-27-9-7-8-10-33(27)35;1-2-3-11-43-22-30(28-9-8-27(18-25(28)19-40)45-33(37,38)39)29-17-24(7-10-31(29)43)21-42-14-12-41(13-15-42)20-23-5-4-6-26(16-23)44-32(34,35)36;1-3-4-13-40-23-31(29-11-10-28(19-27(29)20-37)41-33(34,35)36)30-18-26(9-12-32(30)40)22-39-16-14-38(15-17-39)21-25-7-5-24(2)6-8-25/h7-13,19-21,24H,5-6,14-18,22-23,39H2,1-4H3;2-3,5-6,8,10-12,19-20,23H,4,7,9,13-18,21-22,39H2,1H3;7-14,20-21,25H,5-6,15-19,22-24H2,1-4H3;4-10,16-18,22H,2-3,11-15,19-21,40H2,1H3;5-12,18-19,23H,3-4,13-17,20-22,37H2,1-2H3
InChIKeyGUTMXOKIEFYZOY-UHFFFAOYSA-N
MW2978.46 g/mol
LogP36.80
Rot. Bonds54

About 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine

4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine (PubChem CID 158372332) has the molecular formula C169H199Cl2F15N20O7 and a molecular weight of 2978.46 g/mol. Its IUPAC name is 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
PubChem CID158372332
Molecular FormulaC169H199Cl2F15N20O7
Molecular Weight2978.46 g/mol
Exact Mass2975.50
IUPAC Name4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine
SMILESCC(=O)CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(C(C)(C)c4cccc(C)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc(C)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC)cc2CN(C)C)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C35H43F3N4O.C34H38ClF3N4O2.C34H43ClN4O.C33H36F6N4O2.C33H39F3N4O/c1-5-6-14-41-24-32(30-12-11-29(21-27(30)22-39)43-35(36,37)38)31-20-26(10-13-33(31)41)23-40-15-17-42(18-16-40)34(3,4)28-9-7-8-25(2)19-28;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;1-5-6-15-39-25-32(30-13-12-29(40-4)21-28(30)23-36(2)3)31-20-26(11-14-34(31)39)22-37-16-18-38(19-17-37)24-27-9-7-8-10-33(27)35;1-2-3-11-43-22-30(28-9-8-27(18-25(28)19-40)45-33(37,38)39)29-17-24(7-10-31(29)43)21-42-14-12-41(13-15-42)20-23-5-4-6-26(16-23)44-32(34,35)36;1-3-4-13-40-23-31(29-11-10-28(19-27(29)20-37)41-33(34,35)36)30-18-26(9-12-32(30)40)22-39-16-14-38(15-17-39)21-25-7-5-24(2)6-8-25/h7-13,19-21,24H,5-6,14-18,22-23,39H2,1-4H3;2-3,5-6,8,10-12,19-20,23H,4,7,9,13-18,21-22,39H2,1H3;7-14,20-21,25H,5-6,15-19,22-24H2,1-4H3;4-10,16-18,22H,2-3,11-15,19-21,40H2,1H3;5-12,18-19,23H,3-4,13-17,20-22,37H2,1-2H3
InChIKeyGUTMXOKIEFYZOY-UHFFFAOYSA-N
XLogP36.80
TPSA236.82 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds54
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002978.46
LogP ≤ 536.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine with MolForge

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Related Compounds

3-[3-[2-(Aminomethyl)-4-[[3-[3-[2-(aminomethyl)-4-(trifluoromethoxy)phenyl]-5-(morpholin-4-ylmethyl)indol-1-yl]propylamino]methyl]phenyl]-5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
CID 129200950
3-[5-[[4-[[4-[3-[2-[4-[[1-(3-Aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethyl]-4-chlorophenyl]phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129201400
1-[3-(Aminomethyl)-4-[1-(3-aminopropyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]-3-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129201440
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
N-[3-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[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]-4-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 129203829
N-[3-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-methyl-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 129203830
N-[3-[5-[[4-[[2,6-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[4-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203999
5-[5-[[4-[(2,6-Dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-[4-[[2-(2-methoxy-6-methylphenyl)-4-pyridinyl]methylamino]piperidin-4-yl]pentan-1-one
CID 153017100
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine (CID 158372332) is 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine is CC(=O)CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCN(Cc4ccccc4Cl)CC3)cc12.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(C(C)(C)c4cccc(C)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4ccc(C)cc4)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2CN)c2cc(CN3CCN(Cc4cccc(OC(F)(F)F)c4)CC3)ccc21.CCCCn1cc(-c2ccc(OC)cc2CN(C)C)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is GUTMXOKIEFYZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43F3N4O.C34H38ClF3N4O2.C34H43ClN4O.C33H36F6N4O2.C33H39F3N4O/c1-5-6-14-41-24-32(30-12-11-29(21-27(30)22-39)43-35(36,37)38)31-20-26(10-13-33(31)41)23-40-15-17-42(18-16-40)34(3,4)28-9-7-8-25(2)19-28;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;1-5-6-15-39-25-32(30-13-12-29(40-4)21-28(30)23-36(2)3)31-20-26(11-14-34(31)39)22-37-16-18-38(19-17-37)24-27-9-7-8-10-33(27)35;1-2-3-11-43-22-30(28-9-8-27(18-25(28)19-40)45-33(37,38)39)29-17-24(7-10-31(29)43)21-42-14-12-41(13-15-42)20-23-5-4-6-26(16-23)44-32(34,35)36;1-3-4-13-40-23-31(29-11-10-28(19-27(29)20-37)41-33(34,35)36)30-18-26(9-12-32(30)40)22-39-16-14-38(15-17-39)21-25-7-5-24(2)6-8-25/h7-13,19-21,24H,5-6,14-18,22-23,39H2,1-4H3;2-3,5-6,8,10-12,19-20,23H,4,7,9,13-18,21-22,39H2,1H3;7-14,20-21,25H,5-6,15-19,22-24H2,1-4H3;4-10,16-18,22H,2-3,11-15,19-21,40H2,1H3;5-12,18-19,23H,3-4,13-17,20-22,37H2,1-2H3.
What are the key properties of 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine?
4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 2978.46 g/mol, XLogP of 36.80, 54 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]butan-2-one;1-[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]-N,N-dimethylmethanamine;[2-[1-butyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[2-(3-methylphenyl)propan-2-yl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine;[2-[1-butyl-5-[[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 158372332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).