1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole

C141H169Cl4F3N24O — CID 159343248

IUPAC1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cnc(C)n4C)CC3)ccc21.CCCCn1cc(-c2ccn(C)n2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccn[nH]2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cnn(C)c2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(C2=CCN=C2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C30H36F3N5O.2C28H34ClN5.C28H33ClN4.C27H32ClN5/c1-4-5-12-38-21-28(24-7-9-26(10-8-24)39-30(31,32)33)27-17-23(6-11-29(27)38)19-36-13-15-37(16-14-36)20-25-18-34-22(2)35(25)3;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;1-3-4-11-34-21-26(24-17-30-31(2)19-24)25-16-22(9-10-28(25)34)18-32-12-14-33(15-13-32)20-23-7-5-6-8-27(23)29;1-2-3-12-33-21-26(23-10-11-30-18-23)25-17-22(8-9-28(25)33)19-31-13-15-32(16-14-31)20-24-6-4-5-7-27(24)29;1-2-3-12-33-20-24(26-10-11-29-30-26)23-17-21(8-9-27(23)33)18-31-13-15-32(16-14-31)19-22-6-4-5-7-25(22)28/h6-11,17-18,21H,4-5,12-16,19-20H2,1-3H3;5-11,13,18,21H,3-4,12,14-17,19-20H2,1-2H3;5-10,16-17,19,21H,3-4,11-15,18,20H2,1-2H3;4-10,17-18,21H,2-3,11-16,19-20H2,1H3;4-11,17,20H,2-3,12-16,18-19H2,1H3,(H,29,30)
InChIKeyLGJXAZKKKNXGNY-UHFFFAOYSA-N
MW2414.88 g/mol
LogP29.68
Rot. Bonds41

About 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole

1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole (PubChem CID 159343248) has the molecular formula C141H169Cl4F3N24O and a molecular weight of 2414.88 g/mol. Its IUPAC name is 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole.

Molecular Properties

Compound Name1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
PubChem CID159343248
Molecular FormulaC141H169Cl4F3N24O
Molecular Weight2414.88 g/mol
Exact Mass2411.26
IUPAC Name1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cnc(C)n4C)CC3)ccc21.CCCCn1cc(-c2ccn(C)n2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccn[nH]2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cnn(C)c2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(C2=CCN=C2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C30H36F3N5O.2C28H34ClN5.C28H33ClN4.C27H32ClN5/c1-4-5-12-38-21-28(24-7-9-26(10-8-24)39-30(31,32)33)27-17-23(6-11-29(27)38)19-36-13-15-37(16-14-36)20-25-18-34-22(2)35(25)3;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;1-3-4-11-34-21-26(24-17-30-31(2)19-24)25-16-22(9-10-28(25)34)18-32-12-14-33(15-13-32)20-23-7-5-6-8-27(23)29;1-2-3-12-33-21-26(23-10-11-30-18-23)25-17-22(8-9-28(25)33)19-31-13-15-32(16-14-31)20-24-6-4-5-7-27(24)29;1-2-3-12-33-20-24(26-10-11-29-30-26)23-17-21(8-9-27(23)33)18-31-13-15-32(16-14-31)19-22-6-4-5-7-25(22)28/h6-11,17-18,21H,4-5,12-16,19-20H2,1-3H3;5-11,13,18,21H,3-4,12,14-17,19-20H2,1-2H3;5-10,16-17,19,21H,3-4,11-15,18,20H2,1-2H3;4-10,17-18,21H,2-3,11-16,19-20H2,1H3;4-11,17,20H,2-3,12-16,18-19H2,1H3,(H,29,30)
InChIKeyLGJXAZKKKNXGNY-UHFFFAOYSA-N
XLogP29.68
TPSA160.78 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002414.88
LogP ≤ 529.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole with MolForge

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Related Compounds

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
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
Bis(2-tert-butyl-7-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine;bis(2-tert-butyl-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 157681198
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157785261
3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 157788535
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
CID 158064756
CID 158064756
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
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 158138339
3-(1,5-dimethylpyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-(3,5-dimethyl-1H-pyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-phenyl-7-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 158155599
2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 158182993
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
The IUPAC name of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole (CID 159343248) is 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole.
What is the SMILES notation for 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
The canonical SMILES for 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCN(Cc4cnc(C)n4C)CC3)ccc21.CCCCn1cc(-c2ccn(C)n2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2ccn[nH]2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(-c2cnn(C)c2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.CCCCn1cc(C2=CCN=C2)c2cc(CN3CCN(Cc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
The InChIKey is LGJXAZKKKNXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N5O.2C28H34ClN5.C28H33ClN4.C27H32ClN5/c1-4-5-12-38-21-28(24-7-9-26(10-8-24)39-30(31,32)33)27-17-23(6-11-29(27)38)19-36-13-15-37(16-14-36)20-25-18-34-22(2)35(25)3;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;1-3-4-11-34-21-26(24-17-30-31(2)19-24)25-16-22(9-10-28(25)34)18-32-12-14-33(15-13-32)20-23-7-5-6-8-27(23)29;1-2-3-12-33-21-26(23-10-11-30-18-23)25-17-22(8-9-28(25)33)19-31-13-15-32(16-14-31)20-24-6-4-5-7-27(24)29;1-2-3-12-33-20-24(26-10-11-29-30-26)23-17-21(8-9-27(23)33)18-31-13-15-32(16-14-31)19-22-6-4-5-7-25(22)28/h6-11,17-18,21H,4-5,12-16,19-20H2,1-3H3;5-11,13,18,21H,3-4,12,14-17,19-20H2,1-2H3;5-10,16-17,19,21H,3-4,11-15,18,20H2,1-2H3;4-10,17-18,21H,2-3,11-16,19-20H2,1H3;4-11,17,20H,2-3,12-16,18-19H2,1H3,(H,29,30).
What are the key properties of 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole?
1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole has a molecular weight of 2414.88 g/mol, XLogP of 29.68, 41 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 159343248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).