[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine

C169H187Cl5F6N24O4 — CID 162151513

IUPAC[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine
SMILESCCCCn1cc(-c2ccc(C)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC)cc2CN)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(CCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C41H40ClF3N6O.C35H35ClF3N5O.C32H39ClN4O.C32H39ClN4.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;36-32-7-2-1-6-28(32)24-43-20-18-42(19-21-43)23-26-9-14-33-30(22-26)31(27-10-12-29(13-11-27)45-35(37,38)39)25-44(33)17-5-16-41-34-8-3-4-15-40-34;1-3-4-13-37-23-30(28-11-10-27(38-2)19-26(28)20-34)29-18-24(9-12-32(29)37)21-35-14-16-36(17-15-35)22-25-7-5-6-8-31(25)33;1-3-4-13-37-23-30(28-11-9-24(2)18-27(28)20-34)29-19-25(10-12-32(29)37)21-35-14-16-36(17-15-35)22-26-7-5-6-8-31(26)33;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;1-4,6-15,22,25H,5,16-21,23-24H2,(H,40,41);5-12,18-19,23H,3-4,13-17,20-22,34H2,1-2H3;5-12,18-19,23H,3-4,13-17,20-22,34H2,1-2H3;5-10,16-18,21H,3-4,11-15,19-20H2,1-2H3
InChIKeyZLGRPDHOPRUAKC-UHFFFAOYSA-N
MW2909.77 g/mol
LogP36.93
Rot. Bonds52

About [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine

[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine (PubChem CID 162151513) has the molecular formula C169H187Cl5F6N24O4 and a molecular weight of 2909.77 g/mol. Its IUPAC name is [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine.

Molecular Properties

Compound Name[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine
PubChem CID162151513
Molecular FormulaC169H187Cl5F6N24O4
Molecular Weight2909.77 g/mol
Exact Mass2905.35
IUPAC Name[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine
SMILESCCCCn1cc(-c2ccc(C)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC)cc2CN)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(CCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
InChIInChI=1S/C41H40ClF3N6O.C35H35ClF3N5O.C32H39ClN4O.C32H39ClN4.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;36-32-7-2-1-6-28(32)24-43-20-18-42(19-21-43)23-26-9-14-33-30(22-26)31(27-10-12-29(13-11-27)45-35(37,38)39)25-44(33)17-5-16-41-34-8-3-4-15-40-34;1-3-4-13-37-23-30(28-11-10-27(38-2)19-26(28)20-34)29-18-24(9-12-32(29)37)21-35-14-16-36(17-15-35)22-25-7-5-6-8-31(25)33;1-3-4-13-37-23-30(28-11-9-24(2)18-27(28)20-34)29-19-25(10-12-32(29)37)21-35-14-16-36(17-15-35)22-26-7-5-6-8-31(26)33;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;1-4,6-15,22,25H,5,16-21,23-24H2,(H,40,41);5-12,18-19,23H,3-4,13-17,20-22,34H2,1-2H3;5-12,18-19,23H,3-4,13-17,20-22,34H2,1-2H3;5-10,16-18,21H,3-4,11-15,19-20H2,1-2H3
InChIKeyZLGRPDHOPRUAKC-UHFFFAOYSA-N
XLogP36.93
TPSA225.73 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002909.77
LogP ≤ 536.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-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

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
[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
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
N-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(3,5-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-6-amine;5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157991844
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
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
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
3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158456002
N-benzyl-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(2-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 158658216

Frequently Asked Questions

What is the IUPAC name of [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
The IUPAC name of [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine (CID 162151513) is [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine.
What is the SMILES notation for [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
The canonical SMILES for [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine is CCCCn1cc(-c2ccc(C)cc2CN)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccc(OC)cc2CN)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(CCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.
What is the InChIKey of [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
The InChIKey is ZLGRPDHOPRUAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40ClF3N6O.C35H35ClF3N5O.C32H39ClN4O.C32H39ClN4.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;36-32-7-2-1-6-28(32)24-43-20-18-42(19-21-43)23-26-9-14-33-30(22-26)31(27-10-12-29(13-11-27)45-35(37,38)39)25-44(33)17-5-16-41-34-8-3-4-15-40-34;1-3-4-13-37-23-30(28-11-10-27(38-2)19-26(28)20-34)29-18-24(9-12-32(29)37)21-35-14-16-36(17-15-35)22-25-7-5-6-8-31(25)33;1-3-4-13-37-23-30(28-11-9-24(2)18-27(28)20-34)29-19-25(10-12-32(29)37)21-35-14-16-36(17-15-35)22-26-7-5-6-8-31(26)33;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;1-4,6-15,22,25H,5,16-21,23-24H2,(H,40,41);5-12,18-19,23H,3-4,13-17,20-22,34H2,1-2H3;5-12,18-19,23H,3-4,13-17,20-22,34H2,1-2H3;5-10,16-18,21H,3-4,11-15,19-20H2,1-2H3.
What are the key properties of [2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine?
[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine has a molecular weight of 2909.77 g/mol, XLogP of 36.93, 52 rotatable bonds, 3 hydrogen bond donors, and 28 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]-5-methoxyphenyl]methanamine;[2-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]-5-methylphenyl]methanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(5-methoxypyrimidin-2-yl)indole;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;N-[3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]pyridin-2-amine is sourced from PubChem (CID 162151513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).