6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C141H108F12N14O9 — CID 158986499

IUPAC6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCOc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1.O=C1CCc2cc(-c3cccnc3)c(F)cc2N1.O=C1CCc2cc(-c3cccnc3)cc(F)c2N1.O=C1CCc2cc(-c3cncc(-c4cc(F)cc(F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4ccc(F)c(F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4cccc(C(F)(F)F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4cccc(OC(F)(F)F)c4)c3)cc3c2N1CC3
InChIInChI=1S/C23H17F3N2O2.C23H17F3N2O.C23H20N2O2.2C22H16F2N2O.2C14H11FN2O/c24-23(25,26)30-20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(29)28-7-6-16(9-17)22(15)28;24-23(25,26)20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(29)28-7-6-16(9-17)22(15)28;1-27-21-5-3-2-4-20(21)19-12-18(13-24-14-19)17-10-15-6-7-22(26)25-9-8-16(11-17)23(15)25;23-19-3-1-13(10-20(19)24)17-9-18(12-25-11-17)16-7-14-2-4-21(27)26-6-5-15(8-16)22(14)26;23-19-8-16(9-20(24)10-19)18-7-17(11-25-12-18)15-5-13-1-2-21(27)26-4-3-14(6-15)22(13)26;15-12-7-13-9(3-4-14(18)17-13)6-11(12)10-2-1-5-16-8-10;15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-3,8-13H,4-7H2;1-3,8-13H,4-7H2;2-5,10-14H,6-9H2,1H3;1,3,7-12H,2,4-6H2;5-12H,1-4H2;2*1-2,5-8H,3-4H2,(H,17,18)
InChIKeyJPQCFQGTVWLXTA-UHFFFAOYSA-N
MW2370.48 g/mol
LogP29.28
Rot. Bonds14

About 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 158986499) has the molecular formula C141H108F12N14O9 and a molecular weight of 2370.48 g/mol. Its IUPAC name is 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID158986499
Molecular FormulaC141H108F12N14O9
Molecular Weight2370.48 g/mol
Exact Mass2368.82
IUPAC Name6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESCOc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1.O=C1CCc2cc(-c3cccnc3)c(F)cc2N1.O=C1CCc2cc(-c3cccnc3)cc(F)c2N1.O=C1CCc2cc(-c3cncc(-c4cc(F)cc(F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4ccc(F)c(F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4cccc(C(F)(F)F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4cccc(OC(F)(F)F)c4)c3)cc3c2N1CC3
InChIInChI=1S/C23H17F3N2O2.C23H17F3N2O.C23H20N2O2.2C22H16F2N2O.2C14H11FN2O/c24-23(25,26)30-20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(29)28-7-6-16(9-17)22(15)28;24-23(25,26)20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(29)28-7-6-16(9-17)22(15)28;1-27-21-5-3-2-4-20(21)19-12-18(13-24-14-19)17-10-15-6-7-22(26)25-9-8-16(11-17)23(15)25;23-19-3-1-13(10-20(19)24)17-9-18(12-25-11-17)16-7-14-2-4-21(27)26-6-5-15(8-16)22(14)26;23-19-8-16(9-20(24)10-19)18-7-17(11-25-12-18)15-5-13-1-2-21(27)26-4-3-14(6-15)22(13)26;15-12-7-13-9(3-4-14(18)17-13)6-11(12)10-2-1-5-16-8-10;15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-3,8-13H,4-7H2;1-3,8-13H,4-7H2;2-5,10-14H,6-9H2,1H3;1,3,7-12H,2,4-6H2;5-12H,1-4H2;2*1-2,5-8H,3-4H2,(H,17,18)
InChIKeyJPQCFQGTVWLXTA-UHFFFAOYSA-N
XLogP29.28
TPSA268.44 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002370.48
LogP ≤ 529.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[[5-[(2,6-Difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;3-isocyano-2-[[5-[[1-(5-oxo-5-piperidin-2-ylpentyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile;5-[5-[[5-[(2-methoxy-6-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;2-[[5-[[1-(5-oxo-5-piperidin-2-ylpentyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile
CID 157071289
1-(1-Aminocyclohexyl)-5-[5-[[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;2-[[4-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]-3-isocyanobenzonitrile
CID 157996680
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;2-[[5-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile;2-[[5-[[1-[5-(1-aminocyclohexyl)-5-oxopentyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-isocyanobenzonitrile
CID 158139972
1-(1-Aminocyclohexyl)-5-[5-[[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one
CID 158196903
1-(1-Aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 158518897
5-[5-[[4-[(2,6-Difluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;3-isocyano-2-[[4-[[1-(5-oxo-5-piperidin-2-ylpentyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;5-[5-[[4-[(2-methoxy-6-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;2-[[4-[[1-(5-oxo-5-piperidin-2-ylpentyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 158633033
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 158639602
6-[5-(3,4-Difluorophenyl)pyridin-3-yl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 159175509
6-[5-(2-Methoxyphenyl)pyridin-3-yl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 159205660
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 159533361
1-(1-Aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one
CID 159989841
1-(1-Aminocyclohexyl)-5-[5-[(4-benzylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[4-[[2-methyl-6-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;5-[5-[[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one
CID 160158765

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 158986499) is 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is COc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1.O=C1CCc2cc(-c3cccnc3)c(F)cc2N1.O=C1CCc2cc(-c3cccnc3)cc(F)c2N1.O=C1CCc2cc(-c3cncc(-c4cc(F)cc(F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4ccc(F)c(F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4cccc(C(F)(F)F)c4)c3)cc3c2N1CC3.O=C1CCc2cc(-c3cncc(-c4cccc(OC(F)(F)F)c4)c3)cc3c2N1CC3.
What is the InChIKey of 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is JPQCFQGTVWLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2.C23H17F3N2O.C23H20N2O2.2C22H16F2N2O.2C14H11FN2O/c24-23(25,26)30-20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(29)28-7-6-16(9-17)22(15)28;24-23(25,26)20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(29)28-7-6-16(9-17)22(15)28;1-27-21-5-3-2-4-20(21)19-12-18(13-24-14-19)17-10-15-6-7-22(26)25-9-8-16(11-17)23(15)25;23-19-3-1-13(10-20(19)24)17-9-18(12-25-11-17)16-7-14-2-4-21(27)26-6-5-15(8-16)22(14)26;23-19-8-16(9-20(24)10-19)18-7-17(11-25-12-18)15-5-13-1-2-21(27)26-4-3-14(6-15)22(13)26;15-12-7-13-9(3-4-14(18)17-13)6-11(12)10-2-1-5-16-8-10;15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-3,8-13H,4-7H2;1-3,8-13H,4-7H2;2-5,10-14H,6-9H2,1H3;1,3,7-12H,2,4-6H2;5-12H,1-4H2;2*1-2,5-8H,3-4H2,(H,17,18).
What are the key properties of 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 2370.48 g/mol, XLogP of 29.28, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,4-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-(3,5-difluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;8-fluoro-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one;6-[5-(2-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;6-[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 158986499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).