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

C156H178Cl5F3N18O4 — CID 157130055

IUPAC1-[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
SMILESCC(=O)c1cccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c1.CCCCn1cc(-c2ccc(C(N)=O)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(Cc4ccccc4Cl)CC3)cccc21.CCCCn1cc(-c2ccccc2CO)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCc1cccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c1
InChIInChI=1S/C32H39ClN4.C31H33ClF3N3O.2C31H35ClN4O.C31H36ClN3O/c1-2-7-25-8-5-10-27(20-25)30-24-37(15-6-14-34)32-13-12-26(21-29(30)32)22-35-16-18-36(19-17-35)23-28-9-3-4-11-31(28)33;1-2-3-15-38-22-27(23-11-13-26(14-12-23)39-31(33,34)35)30-25(8-6-10-29(30)38)21-37-18-16-36(17-19-37)20-24-7-4-5-9-28(24)32;1-23(37)25-7-4-8-26(19-25)29-22-36(13-5-12-33)31-11-10-24(18-28(29)31)20-34-14-16-35(17-15-34)21-27-6-2-3-9-30(27)32;1-2-3-14-36-22-28(24-9-11-25(12-10-24)31(33)37)27-19-23(8-13-30(27)36)20-34-15-17-35(18-16-34)21-26-6-4-5-7-29(26)32;1-2-3-14-35-22-29(27-10-6-4-9-26(27)23-36)28-19-24(12-13-31(28)35)20-33-15-17-34(18-16-33)21-25-8-5-7-11-30(25)32/h3-5,8-13,20-21,24H,2,6-7,14-19,22-23,34H2,1H3;4-14,22H,2-3,15-21H2,1H3;2-4,6-11,18-19,22H,5,12-17,20-21,33H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3,(H2,33,37);4-13,19,22,36H,2-3,14-18,20-21,23H2,1H3
InChIKeyAIYQMBHRVWHEDU-UHFFFAOYSA-N
MW2603.52 g/mol
LogP33.14
Rot. Bonds46

About 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

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 (PubChem CID 157130055) has the molecular formula C156H178Cl5F3N18O4 and a molecular weight of 2603.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157130055
Molecular FormulaC156H178Cl5F3N18O4
Molecular Weight2603.52 g/mol
Exact Mass2599.27
IUPAC Name1-[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
SMILESCC(=O)c1cccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c1.CCCCn1cc(-c2ccc(C(N)=O)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(Cc4ccccc4Cl)CC3)cccc21.CCCCn1cc(-c2ccccc2CO)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCc1cccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c1
InChIInChI=1S/C32H39ClN4.C31H33ClF3N3O.2C31H35ClN4O.C31H36ClN3O/c1-2-7-25-8-5-10-27(20-25)30-24-37(15-6-14-34)32-13-12-26(21-29(30)32)22-35-16-18-36(19-17-35)23-28-9-3-4-11-31(28)33;1-2-3-15-38-22-27(23-11-13-26(14-12-23)39-31(33,34)35)30-25(8-6-10-29(30)38)21-37-18-16-36(17-19-37)20-24-7-4-5-9-28(24)32;1-23(37)25-7-4-8-26(19-25)29-22-36(13-5-12-33)31-11-10-24(18-28(29)31)20-34-14-16-35(17-15-34)21-27-6-2-3-9-30(27)32;1-2-3-14-36-22-28(24-9-11-25(12-10-24)31(33)37)27-19-23(8-13-30(27)36)20-34-15-17-35(18-16-34)21-26-6-4-5-7-29(26)32;1-2-3-14-35-22-29(27-10-6-4-9-26(27)23-36)28-19-24(12-13-31(28)35)20-33-15-17-34(18-16-33)21-25-8-5-7-11-30(25)32/h3-5,8-13,20-21,24H,2,6-7,14-19,22-23,34H2,1H3;4-14,22H,2-3,15-21H2,1H3;2-4,6-11,18-19,22H,5,12-17,20-21,33H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3,(H2,33,37);4-13,19,22,36H,2-3,14-18,20-21,23H2,1H3
InChIKeyAIYQMBHRVWHEDU-UHFFFAOYSA-N
XLogP33.14
TPSA198.71 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002603.52
LogP ≤ 533.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

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
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
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
tert-butyl N-[3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-formyl-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;tert-butyl N-[3-[6-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[6-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]indol-3-yl]propan-1-amine
CID 157254213
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
[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
1-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanone;2-[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-4-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 158046118
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
Tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole
CID 158200764
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c1.CCCCn1cc(-c2ccc(C(N)=O)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(Cc4ccccc4Cl)CC3)cccc21.CCCCn1cc(-c2ccccc2CO)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCc1cccc(-c2cn(CCCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)c1.
What is the InChIKey of 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?
The InChIKey is AIYQMBHRVWHEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN4.C31H33ClF3N3O.2C31H35ClN4O.C31H36ClN3O/c1-2-7-25-8-5-10-27(20-25)30-24-37(15-6-14-34)32-13-12-26(21-29(30)32)22-35-16-18-36(19-17-35)23-28-9-3-4-11-31(28)33;1-2-3-15-38-22-27(23-11-13-26(14-12-23)39-31(33,34)35)30-25(8-6-10-29(30)38)21-37-18-16-36(17-19-37)20-24-7-4-5-9-28(24)32;1-23(37)25-7-4-8-26(19-25)29-22-36(13-5-12-33)31-11-10-24(18-28(29)31)20-34-14-16-35(17-15-34)21-27-6-2-3-9-30(27)32;1-2-3-14-36-22-28(24-9-11-25(12-10-24)31(33)37)27-19-23(8-13-30(27)36)20-34-15-17-35(18-16-34)21-26-6-4-5-7-29(26)32;1-2-3-14-35-22-29(27-10-6-4-9-26(27)23-36)28-19-24(12-13-31(28)35)20-33-15-17-34(18-16-33)21-25-8-5-7-11-30(25)32/h3-5,8-13,20-21,24H,2,6-7,14-19,22-23,34H2,1H3;4-14,22H,2-3,15-21H2,1H3;2-4,6-11,18-19,22H,5,12-17,20-21,33H2,1H3;4-13,19,22H,2-3,14-18,20-21H2,1H3,(H2,33,37);4-13,19,22,36H,2-3,14-18,20-21,23H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2603.52 g/mol, XLogP of 33.14, 46 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157130055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).