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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine

C128H138Cl4F6N20O4 — CID 162159003

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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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(CCCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)nc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)nc1
InChIInChI=1S/C35H36ClF3N6O.C34H33ClF3N5O.C30H35ClN4O.C29H34ClN5O/c36-31-8-2-1-7-27(31)24-44-19-17-43(18-20-44)23-26-10-13-33-29(21-26)30(32-12-11-28(22-42-32)46-35(37,38)39)25-45(33)16-6-5-15-41-34-9-3-4-14-40-34;35-31-9-2-1-6-26(31)23-42-18-16-41(17-19-42)22-25-10-13-33-29(20-25)30(32-12-11-28(21-40-32)44-34(36,37)38)24-43(33)15-5-8-27-7-3-4-14-39-27;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/h1-4,7-14,21-22,25H,5-6,15-20,23-24H2,(H,40,41);1-4,6-7,9-14,20-21,24H,5,8,15-19,22-23H2;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
InChIKeyZMFGRXYKDGFODW-UHFFFAOYSA-N
MW2276.45 g/mol
LogP27.82
Rot. Bonds40

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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine (PubChem CID 162159003) has the molecular formula C128H138Cl4F6N20O4 and a molecular weight of 2276.45 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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine
PubChem CID162159003
Molecular FormulaC128H138Cl4F6N20O4
Molecular Weight2276.45 g/mol
Exact Mass2272.99
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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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(CCCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)nc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)nc1
InChIInChI=1S/C35H36ClF3N6O.C34H33ClF3N5O.C30H35ClN4O.C29H34ClN5O/c36-31-8-2-1-7-27(31)24-44-19-17-43(18-20-44)23-26-10-13-33-29(21-26)30(32-12-11-28(22-42-32)46-35(37,38)39)25-45(33)16-6-5-15-41-34-9-3-4-14-40-34;35-31-9-2-1-6-26(31)23-42-18-16-41(17-19-42)22-25-10-13-33-29(20-25)30(32-12-11-28(21-40-32)44-34(36,37)38)24-43(33)15-5-8-27-7-3-4-14-39-27;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/h1-4,7-14,21-22,25H,5-6,15-20,23-24H2,(H,40,41);1-4,6-7,9-14,20-21,24H,5,8,15-19,22-23H2;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
InChIKeyZMFGRXYKDGFODW-UHFFFAOYSA-N
XLogP27.82
TPSA184.82 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002276.45
LogP ≤ 527.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine with MolForge

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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
[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-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
[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 157261895
[4-Chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-1,2-dihydropyridin-3-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-1,2-dihydropyridin-3-yl)methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]methanol
CID 157403172
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
[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 157487724
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
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

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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine (CID 162159003) 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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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(CCCCNc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)nc1.FC(F)(F)Oc1ccc(-c2cn(CCCc3ccccn3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)nc1.
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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine?
The InChIKey is ZMFGRXYKDGFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClF3N6O.C34H33ClF3N5O.C30H35ClN4O.C29H34ClN5O/c36-31-8-2-1-7-27(31)24-44-19-17-43(18-20-44)23-26-10-13-33-29(21-26)30(32-12-11-28(22-42-32)46-35(37,38)39)25-45(33)16-6-5-15-41-34-9-3-4-14-40-34;35-31-9-2-1-6-26(31)23-42-18-16-41(17-19-42)22-25-10-13-33-29(20-25)30(32-12-11-28(21-40-32)44-34(36,37)38)24-43(33)15-5-8-27-7-3-4-14-39-27;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/h1-4,7-14,21-22,25H,5-6,15-20,23-24H2,(H,40,41);1-4,6-7,9-14,20-21,24H,5,8,15-19,22-23H2;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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine has a molecular weight of 2276.45 g/mol, XLogP of 27.82, 40 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-(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-[5-(trifluoromethoxy)-2-pyridinyl]indole;N-[4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]indol-1-yl]butyl]pyridin-2-amine is sourced from PubChem (CID 162159003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).