2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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

C151H176Cl3F6N21O3 — CID 159588633

IUPAC2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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
SMILESCCCCn1cc(-c2ccc(CCN)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(Cc4ccc(C)cc4)CC3)cccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccn[nH]4)CC3)ccc21.CCCCn1cc(-c2ccccc2C(N)=O)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccn(C)n2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C32H39ClN4.C32H36F3N3O.C31H35ClN4O.C28H34ClN5.C28H32F3N5O/c1-2-3-16-37-24-30(27-11-8-25(9-12-27)14-15-34)29-21-26(10-13-32(29)37)22-35-17-19-36(20-18-35)23-28-6-4-5-7-31(28)33;1-3-4-16-38-23-29(26-12-14-28(15-13-26)39-32(33,34)35)31-27(6-5-7-30(31)38)22-37-19-17-36(18-20-37)21-25-10-8-24(2)9-11-25;1-2-3-14-36-22-28(25-9-5-6-10-26(25)31(33)37)27-19-23(12-13-30(27)36)20-34-15-17-35(18-16-34)21-24-8-4-7-11-29(24)32;1-3-4-12-34-21-25(27-11-13-31(2)30-27)24-18-22(9-10-28(24)34)19-32-14-16-33(17-15-32)20-23-7-5-6-8-26(23)29;1-2-3-12-36-20-26(22-5-7-24(8-6-22)37-28(29,30)31)25-17-21(4-9-27(25)36)18-34-13-15-35(16-14-34)19-23-10-11-32-33-23/h4-13,21,24H,2-3,14-20,22-23,34H2,1H3;5-15,23H,3-4,16-22H2,1-2H3;4-13,19,22H,2-3,14-18,20-21H2,1H3,(H2,33,37);5-11,13,18,21H,3-4,12,14-17,19-20H2,1-2H3;4-11,17,20H,2-3,12-16,18-19H2,1H3,(H,32,33)
InChIKeyMJYKAQIXGMNEBJ-UHFFFAOYSA-N
MW2553.56 g/mol
LogP32.25
Rot. Bonds45

About 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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

2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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 (PubChem CID 159588633) has the molecular formula C151H176Cl3F6N21O3 and a molecular weight of 2553.56 g/mol. Its IUPAC name is 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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.

Molecular Properties

Compound Name2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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
PubChem CID159588633
Molecular FormulaC151H176Cl3F6N21O3
Molecular Weight2553.56 g/mol
Exact Mass2550.32
IUPAC Name2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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
SMILESCCCCn1cc(-c2ccc(CCN)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(Cc4ccc(C)cc4)CC3)cccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccn[nH]4)CC3)ccc21.CCCCn1cc(-c2ccccc2C(N)=O)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccn(C)n2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C32H39ClN4.C32H36F3N3O.C31H35ClN4O.C28H34ClN5.C28H32F3N5O/c1-2-3-16-37-24-30(27-11-8-25(9-12-27)14-15-34)29-21-26(10-13-32(29)37)22-35-17-19-36(20-18-35)23-28-6-4-5-7-31(28)33;1-3-4-16-38-23-29(26-12-14-28(15-13-26)39-32(33,34)35)31-27(6-5-7-30(31)38)22-37-19-17-36(18-20-37)21-25-10-8-24(2)9-11-25;1-2-3-14-36-22-28(25-9-5-6-10-26(25)31(33)37)27-19-23(12-13-30(27)36)20-34-15-17-35(18-16-34)21-24-8-4-7-11-29(24)32;1-3-4-12-34-21-25(27-11-13-31(2)30-27)24-18-22(9-10-28(24)34)19-32-14-16-33(17-15-32)20-23-7-5-6-8-26(23)29;1-2-3-12-36-20-26(22-5-7-24(8-6-22)37-28(29,30)31)25-17-21(4-9-27(25)36)18-34-13-15-35(16-14-34)19-23-10-11-32-33-23/h4-13,21,24H,2-3,14-20,22-23,34H2,1H3;5-15,23H,3-4,16-22H2,1-2H3;4-13,19,22H,2-3,14-18,20-21H2,1H3,(H2,33,37);5-11,13,18,21H,3-4,12,14-17,19-20H2,1-2H3;4-11,17,20H,2-3,12-16,18-19H2,1H3,(H,32,33)
InChIKeyMJYKAQIXGMNEBJ-UHFFFAOYSA-N
XLogP32.25
TPSA191.12 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds45
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.56
LogP ≤ 532.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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 with MolForge

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Related Compounds

N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-4-(1H-indazol-6-ylmethylamino)piperidine-4-carboxamide
CID 129186103
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
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157297533
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157463681
[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
5-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-[4-(1H-indazol-6-ylmethylamino)piperidin-4-yl]pentan-1-one
CID 157695945
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
(E)-1-(azetidin-1-yl)-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one;(E)-7-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;(E)-7-[[5-[(Z)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]-N-methylhept-2-enamide;7-[[5-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methylheptanamide;(E)-8-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-6-[3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]propylamino]hex-4-en-3-one
CID 157843645
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
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-[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
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indole-3-carboxamide
CID 158710171

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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?
The IUPAC name of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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 159588633) is 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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.
What is the SMILES notation for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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?
The canonical SMILES for 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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 is CCCCn1cc(-c2ccc(CCN)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(Cc4ccc(C)cc4)CC3)cccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4ccn[nH]4)CC3)ccc21.CCCCn1cc(-c2ccccc2C(N)=O)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccn(C)n2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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?
The InChIKey is MJYKAQIXGMNEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN4.C32H36F3N3O.C31H35ClN4O.C28H34ClN5.C28H32F3N5O/c1-2-3-16-37-24-30(27-11-8-25(9-12-27)14-15-34)29-21-26(10-13-32(29)37)22-35-17-19-36(20-18-35)23-28-6-4-5-7-31(28)33;1-3-4-16-38-23-29(26-12-14-28(15-13-26)39-32(33,34)35)31-27(6-5-7-30(31)38)22-37-19-17-36(18-20-37)21-25-10-8-24(2)9-11-25;1-2-3-14-36-22-28(25-9-5-6-10-26(25)31(33)37)27-19-23(12-13-30(27)36)20-34-15-17-35(18-16-34)21-24-8-4-7-11-29(24)32;1-3-4-12-34-21-25(27-11-13-31(2)30-27)24-18-22(9-10-28(24)34)19-32-14-16-33(17-15-32)20-23-7-5-6-8-26(23)29;1-2-3-12-36-20-26(22-5-7-24(8-6-22)37-28(29,30)31)25-17-21(4-9-27(25)36)18-34-13-15-35(16-14-34)19-23-10-11-32-33-23/h4-13,21,24H,2-3,14-20,22-23,34H2,1H3;5-15,23H,3-4,16-22H2,1-2H3;4-13,19,22H,2-3,14-18,20-21H2,1H3,(H2,33,37);5-11,13,18,21H,3-4,12,14-17,19-20H2,1-2H3;4-11,17,20H,2-3,12-16,18-19H2,1H3,(H,32,33).
What are the key properties of 2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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?
2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]benzamide;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 has a molecular weight of 2553.56 g/mol, XLogP of 32.25, 45 rotatable bonds, 3 hydrogen bond donors, and 22 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]benzamide;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 is sourced from PubChem (CID 159588633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).