1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole

C122H140Cl4F3N15O5 — CID 160769807

IUPAC1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole
SMILESCCCCn1cc(-c2ccc(CO)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(CCOc4ccc(Cl)cc4)CC3)cccc21.CCCCn1cc(-c2ccc(OC)nc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cnc(OC)nc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C32H35ClF3N3O2.C31H36ClN3O.C30H35ClN4O.C29H34ClN5O/c1-2-3-15-39-23-29(24-7-11-28(12-8-24)41-32(34,35)36)31-25(5-4-6-30(31)39)22-38-18-16-37(17-19-38)20-21-40-27-13-9-26(33)10-14-27;1-2-3-14-35-22-29(26-11-8-24(23-36)9-12-26)28-19-25(10-13-31(28)35)20-33-15-17-34(18-16-33)21-27-6-4-5-7-30(27)32;1-3-4-13-35-22-27(24-10-12-30(36-2)32-19-24)26-18-23(9-11-29(26)35)20-33-14-16-34(17-15-33)21-25-7-5-6-8-28(25)31;1-3-4-11-35-21-26(24-17-31-29(36-2)32-18-24)25-16-22(9-10-28(25)35)19-33-12-14-34(15-13-33)20-23-7-5-6-8-27(23)30/h4-14,23H,2-3,15-22H2,1H3;4-13,19,22,36H,2-3,14-18,20-21,23H2,1H3;5-12,18-19,22H,3-4,13-17,20-21H2,1-2H3;5-10,16-18,21H,3-4,11-15,19-20H2,1-2H3
InChIKeyRZDWFPGIAOTAKN-UHFFFAOYSA-N
MW2095.37 g/mol
LogP26.79
Rot. Bonds38

About 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole

1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole (PubChem CID 160769807) has the molecular formula C122H140Cl4F3N15O5 and a molecular weight of 2095.37 g/mol. Its IUPAC name is 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole.

Molecular Properties

Compound Name1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole
PubChem CID160769807
Molecular FormulaC122H140Cl4F3N15O5
Molecular Weight2095.37 g/mol
Exact Mass2091.99
IUPAC Name1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole
SMILESCCCCn1cc(-c2ccc(CO)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(CCOc4ccc(Cl)cc4)CC3)cccc21.CCCCn1cc(-c2ccc(OC)nc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cnc(OC)nc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C32H35ClF3N3O2.C31H36ClN3O.C30H35ClN4O.C29H34ClN5O/c1-2-3-15-39-23-29(24-7-11-28(12-8-24)41-32(34,35)36)31-25(5-4-6-30(31)39)22-38-18-16-37(17-19-38)20-21-40-27-13-9-26(33)10-14-27;1-2-3-14-35-22-29(26-11-8-24(23-36)9-12-26)28-19-25(10-13-31(28)35)20-33-15-17-34(18-16-33)21-27-6-4-5-7-30(27)32;1-3-4-13-35-22-27(24-10-12-30(36-2)32-19-24)26-18-23(9-11-29(26)35)20-33-14-16-34(17-15-33)21-25-7-5-6-8-28(25)31;1-3-4-11-35-21-26(24-17-31-29(36-2)32-18-24)25-16-22(9-10-28(25)35)19-33-12-14-34(15-13-33)20-23-7-5-6-8-27(23)30/h4-14,23H,2-3,15-22H2,1H3;4-13,19,22,36H,2-3,14-18,20-21,23H2,1H3;5-12,18-19,22H,3-4,13-17,20-21H2,1-2H3;5-10,16-18,21H,3-4,11-15,19-20H2,1-2H3
InChIKeyRZDWFPGIAOTAKN-UHFFFAOYSA-N
XLogP26.79
TPSA141.46 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.37
LogP ≤ 526.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole with MolForge

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Related Compounds

3-[5-[[4-[[4-[2-[2-[4-[[1-(3-Aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-4-yl]methyl]piperazin-1-yl]ethoxy]-5-chlorophenyl]-2-chlorophenyl]methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indol-1-yl]propan-1-amine
CID 129201480
1-Chloro-3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-fluoro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;3-[1-[2-ethoxy-5-fluoro-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 157254381
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
1-[(2-Chlorophenyl)methyl]-2-ethyl-3-(6-methoxy-3-pyridinyl)-6-methylindole;1-[(2-chlorophenyl)methyl]-2-ethyl-6-methyl-3-(2-methylsulfanylpyrimidin-5-yl)indole;2-ethyl-1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)indole;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-pyridin-4-ylindol-2-yl]methanol
CID 157734095
[1-[(2-Chlorophenyl)methyl]-5-methoxy-3-pyridin-4-ylindol-2-yl]methanol;[1-[(3-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol
CID 157982712
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
2-[4-Chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]ethanol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;1-[4-chloro-3-(7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]-3,3,3-trifluoropropan-1-ol;3-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;1-[4-chloro-3-(7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol;3-[2-chloro-5-(trifluoromethoxy)phenyl]-7,12-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene;3-[2-chloro-5-(1,1,1-trifluoropropan-2-yloxy)phenyl]-7-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 158120924
3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158191902
1-Butyl-5-[[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole
CID 158228143
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
1-Butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-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 158635668
4-chloro-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N,N-dimethyl-3-phenylquinolin-2-amine;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 159073046

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole?
The IUPAC name of 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole (CID 160769807) is 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole.
What is the SMILES notation for 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole?
The canonical SMILES for 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole is CCCCn1cc(-c2ccc(CO)cc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2c(CN3CCN(CCOc4ccc(Cl)cc4)CC3)cccc21.CCCCn1cc(-c2ccc(OC)nc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cnc(OC)nc2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole?
The InChIKey is RZDWFPGIAOTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClF3N3O2.C31H36ClN3O.C30H35ClN4O.C29H34ClN5O/c1-2-3-15-39-23-29(24-7-11-28(12-8-24)41-32(34,35)36)31-25(5-4-6-30(31)39)22-38-18-16-37(17-19-38)20-21-40-27-13-9-26(33)10-14-27;1-2-3-14-35-22-29(26-11-8-24(23-36)9-12-26)28-19-25(10-13-31(28)35)20-33-15-17-34(18-16-33)21-27-6-4-5-7-30(27)32;1-3-4-13-35-22-27(24-10-12-30(36-2)32-19-24)26-18-23(9-11-29(26)35)20-33-14-16-34(17-15-33)21-25-7-5-6-8-28(25)31;1-3-4-11-35-21-26(24-17-31-29(36-2)32-18-24)25-16-22(9-10-28(25)35)19-33-12-14-34(15-13-33)20-23-7-5-6-8-27(23)30/h4-14,23H,2-3,15-22H2,1H3;4-13,19,22,36H,2-3,14-18,20-21,23H2,1H3;5-12,18-19,22H,3-4,13-17,20-21H2,1-2H3;5-10,16-18,21H,3-4,11-15,19-20H2,1-2H3.
What are the key properties of 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole?
1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole has a molecular weight of 2095.37 g/mol, XLogP of 26.79, 38 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]methanol;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(6-methoxy-3-pyridinyl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxypyrimidin-5-yl)indole is sourced from PubChem (CID 160769807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).