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

C171H180Cl5F9N24O5 — CID 158102531

IUPAC1-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
SMILESCCCCn1cc(-c2ccc(OC)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ncc(OC)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.FC(F)(F)Oc1ccc(-c2cn(CCCCN(c3ccccn3)c3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C41H40ClF3N6O.C36H37ClF3N5O.C35H34ClF3N4O.C30H35ClN4O.C29H34ClN5O/c42-37-10-2-1-9-33(37)29-49-25-23-48(24-26-49)28-31-13-18-38-35(27-31)36(32-14-16-34(17-15-32)52-41(43,44)45)30-50(38)21-7-8-22-51(39-11-3-5-19-46-39)40-12-4-6-20-47-40;37-33-8-2-1-7-29(33)25-44-21-19-43(20-22-44)24-27-10-15-34-31(23-27)32(28-11-13-30(14-12-28)46-36(38,39)40)26-45(34)18-6-5-17-42-35-9-3-4-16-41-35;36-33-9-2-1-6-28(33)24-42-20-18-41(19-21-42)23-26-10-15-34-31(22-26)32(27-11-13-30(14-12-27)44-35(37,38)39)25-43(34)17-5-8-29-7-3-4-16-40-29;1-3-4-13-35-22-27(29-11-10-25(36-2)19-32-29)26-18-23(9-12-30(26)35)20-33-14-16-34(17-15-33)21-24-7-5-6-8-28(24)31;1-3-4-11-35-21-26(29-31-17-24(36-2)18-32-29)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/h1-6,9-20,27,30H,7-8,21-26,28-29H2;1-4,7-16,23,26H,5-6,17-22,24-25H2,(H,41,42);1-4,6-7,9-16,22,25H,5,8,17-21,23-24H2;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
InChIKeyFPKZSNPQQKAOMF-UHFFFAOYSA-N
MW2999.73 g/mol
LogP38.62
Rot. Bonds53

About 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

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 (PubChem CID 158102531) has the molecular formula C171H180Cl5F9N24O5 and a molecular weight of 2999.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158102531
Molecular FormulaC171H180Cl5F9N24O5
Molecular Weight2999.73 g/mol
Exact Mass2995.29
IUPAC Name1-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
SMILESCCCCn1cc(-c2ccc(OC)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ncc(OC)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.FC(F)(F)Oc1ccc(-c2cn(CCCCN(c3ccccn3)c3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C41H40ClF3N6O.C36H37ClF3N5O.C35H34ClF3N4O.C30H35ClN4O.C29H34ClN5O/c42-37-10-2-1-9-33(37)29-49-25-23-48(24-26-49)28-31-13-18-38-35(27-31)36(32-14-16-34(17-15-32)52-41(43,44)45)30-50(38)21-7-8-22-51(39-11-3-5-19-46-39)40-12-4-6-20-47-40;37-33-8-2-1-7-29(33)25-44-21-19-43(20-22-44)24-27-10-15-34-31(23-27)32(28-11-13-30(14-12-28)46-36(38,39)40)26-45(34)18-6-5-17-42-35-9-3-4-16-41-35;36-33-9-2-1-6-28(33)24-42-20-18-41(19-21-42)23-26-10-15-34-31(22-26)32(27-11-13-30(14-12-27)44-35(37,38)39)25-43(34)17-5-8-29-7-3-4-16-40-29;1-3-4-13-35-22-27(29-11-10-25(36-2)19-32-29)26-18-23(9-12-30(26)35)20-33-14-16-34(17-15-33)21-24-7-5-6-8-28(24)31;1-3-4-11-35-21-26(29-31-17-24(36-2)18-32-29)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/h1-6,9-20,27,30H,7-8,21-26,28-29H2;1-4,7-16,23,26H,5-6,17-22,24-25H2,(H,41,42);1-4,6-7,9-16,22,25H,5,8,17-21,23-24H2;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
InChIKeyFPKZSNPQQKAOMF-UHFFFAOYSA-N
XLogP38.62
TPSA208.70 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds53
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002999.73
LogP ≤ 538.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine
CID 129193621
N-[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]ethyl]pyridin-2-amine
CID 129201412
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
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
[2,4-Bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 157210714
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
6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157437117
N-(4-bromophenyl)-2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine;2-[5-chloro-1-methyl-2-(trifluoromethyl)indol-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-4-amine;2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 157555103
[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
2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157738751
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157803147
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCn1cc(-c2ccc(OC)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ncc(OC)cn2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.FC(F)(F)Oc1ccc(-c2cn(CCCCN(c3ccccn3)c3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is FPKZSNPQQKAOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40ClF3N6O.C36H37ClF3N5O.C35H34ClF3N4O.C30H35ClN4O.C29H34ClN5O/c42-37-10-2-1-9-33(37)29-49-25-23-48(24-26-49)28-31-13-18-38-35(27-31)36(32-14-16-34(17-15-32)52-41(43,44)45)30-50(38)21-7-8-22-51(39-11-3-5-19-46-39)40-12-4-6-20-47-40;37-33-8-2-1-7-29(33)25-44-21-19-43(20-22-44)24-27-10-15-34-31(23-27)32(28-11-13-30(14-12-28)46-36(38,39)40)26-45(34)18-6-5-17-42-35-9-3-4-16-41-35;36-33-9-2-1-6-28(33)24-42-20-18-41(19-21-42)23-26-10-15-34-31(22-26)32(27-11-13-30(14-12-27)44-35(37,38)39)25-43(34)17-5-8-29-7-3-4-16-40-29;1-3-4-13-35-22-27(29-11-10-25(36-2)19-32-29)26-18-23(9-12-30(26)35)20-33-14-16-34(17-15-33)21-24-7-5-6-8-28(24)31;1-3-4-11-35-21-26(29-31-17-24(36-2)18-32-29)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/h1-6,9-20,27,30H,7-8,21-26,28-29H2;1-4,7-16,23,26H,5-6,17-22,24-25H2,(H,41,42);1-4,6-7,9-16,22,25H,5,8,17-21,23-24H2;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-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?
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 has a molecular weight of 2999.73 g/mol, XLogP of 38.62, 53 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158102531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).