6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

C208H232Cl3F11N20O18 — CID 158994999

IUPAC6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cc(C)cc(Cl)c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccc(Cl)c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4Cl)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccnc4)CC3)c(F)c12
InChIInChI=1S/C27H27FN2O2.C24H26ClFN2O2.C24H27FN2O2.2C23H24ClFN2O2.C23H31FN2O2.2C22H24FN3O2.C20H25F3N2O2/c1-2-19-16-29-27(31)23-9-10-24(26(28)25(19)23)32-22-11-13-30(14-12-22)17-18-7-8-20-5-3-4-6-21(20)15-18;1-3-17-13-27-24(29)20-4-5-21(23(26)22(17)20)30-19-6-8-28(9-7-19)14-16-10-15(2)11-18(25)12-16;1-3-18-14-26-24(28)20-8-9-21(23(25)22(18)20)29-19-10-12-27(13-11-19)15-17-6-4-16(2)5-7-17;1-2-16-13-26-23(28)19-6-7-20(22(25)21(16)19)29-18-8-10-27(11-9-18)14-15-4-3-5-17(24)12-15;1-2-15-13-26-23(28)18-7-8-20(22(25)21(15)18)29-17-9-11-27(12-10-17)14-16-5-3-4-6-19(16)24;1-2-17-14-25-23(27)19-8-9-20(22(24)21(17)19)28-18-10-12-26(13-11-18)15-16-6-4-3-5-7-16;1-2-16-13-25-22(27)18-5-6-19(21(23)20(16)18)28-17-7-10-26(11-8-17)14-15-4-3-9-24-12-15;1-2-15-13-25-22(27)18-6-7-19(21(23)20(15)18)28-17-8-11-26(12-9-17)14-16-5-3-4-10-24-16;1-3-13-12-24-19(26)15-4-5-16(18(21)17(13)15)27-14-6-9-25(10-7-14)11-8-20(2,22)23/h3-10,15-16,22H,2,11-14,17H2,1H3,(H,29,31);4-5,10-13,19H,3,6-9,14H2,1-2H3,(H,27,29);4-9,14,19H,3,10-13,15H2,1-2H3,(H,26,28);3-7,12-13,18H,2,8-11,14H2,1H3,(H,26,28);3-8,13,17H,2,9-12,14H2,1H3,(H,26,28);8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,25,27);3-6,9,12-13,17H,2,7-8,10-11,14H2,1H3,(H,25,27);3-7,10,13,17H,2,8-9,11-12,14H2,1H3,(H,25,27);4-5,12,14H,3,6-11H2,1-2H3,(H,24,26)
InChIKeyJQQBKKXRVDYZDH-UHFFFAOYSA-N
MW3615.60 g/mol
LogP41.20
Rot. Bonds46

About 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (PubChem CID 158994999) has the molecular formula C208H232Cl3F11N20O18 and a molecular weight of 3615.60 g/mol. Its IUPAC name is 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
PubChem CID158994999
Molecular FormulaC208H232Cl3F11N20O18
Molecular Weight3615.60 g/mol
Exact Mass3611.67
IUPAC Name6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cc(C)cc(Cl)c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccc(Cl)c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4Cl)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccnc4)CC3)c(F)c12
InChIInChI=1S/C27H27FN2O2.C24H26ClFN2O2.C24H27FN2O2.2C23H24ClFN2O2.C23H31FN2O2.2C22H24FN3O2.C20H25F3N2O2/c1-2-19-16-29-27(31)23-9-10-24(26(28)25(19)23)32-22-11-13-30(14-12-22)17-18-7-8-20-5-3-4-6-21(20)15-18;1-3-17-13-27-24(29)20-4-5-21(23(26)22(17)20)30-19-6-8-28(9-7-19)14-16-10-15(2)11-18(25)12-16;1-3-18-14-26-24(28)20-8-9-21(23(25)22(18)20)29-19-10-12-27(13-11-19)15-17-6-4-16(2)5-7-17;1-2-16-13-26-23(28)19-6-7-20(22(25)21(16)19)29-18-8-10-27(11-9-18)14-15-4-3-5-17(24)12-15;1-2-15-13-26-23(28)18-7-8-20(22(25)21(15)18)29-17-9-11-27(12-10-17)14-16-5-3-4-6-19(16)24;1-2-17-14-25-23(27)19-8-9-20(22(24)21(17)19)28-18-10-12-26(13-11-18)15-16-6-4-3-5-7-16;1-2-16-13-25-22(27)18-5-6-19(21(23)20(16)18)28-17-7-10-26(11-8-17)14-15-4-3-9-24-12-15;1-2-15-13-25-22(27)18-6-7-19(21(23)20(15)18)28-17-8-11-26(12-9-17)14-16-5-3-4-10-24-16;1-3-13-12-24-19(26)15-4-5-16(18(21)17(13)15)27-14-6-9-25(10-7-14)11-8-20(2,22)23/h3-10,15-16,22H,2,11-14,17H2,1H3,(H,29,31);4-5,10-13,19H,3,6-9,14H2,1-2H3,(H,27,29);4-9,14,19H,3,10-13,15H2,1-2H3,(H,26,28);3-7,12-13,18H,2,8-11,14H2,1H3,(H,26,28);3-8,13,17H,2,9-12,14H2,1H3,(H,26,28);8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,25,27);3-6,9,12-13,17H,2,7-8,10-11,14H2,1H3,(H,25,27);3-7,10,13,17H,2,8-9,11-12,14H2,1H3,(H,25,27);4-5,12,14H,3,6-11H2,1-2H3,(H,24,26)
InChIKeyJQQBKKXRVDYZDH-UHFFFAOYSA-N
XLogP41.20
TPSA433.75 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds46
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003615.60
LogP ≤ 541.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one with MolForge

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Related Compounds

tert-butyl 2-[3-[(1S)-1-(5-chloro-2-pyridinyl)-1-[[3-(1,1-difluoroethyl)-4-fluorobenzoyl]amino]-2-phenylethyl]-5-fluorophenoxy]acetate;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-(difluoromethoxy)-5-fluorophenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-ethoxy-5-fluorophenyl)-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide
CID 123175383
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
(3R)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide
CID 123822346
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(3-fluoro-4-methylphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-fluoro-4-methylphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123873865
3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
CID 123947560
(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[1-(5-chloro-2-pyridinyl)-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-3-[3-(2,2-difluoropropoxy)-5-fluorophenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
CID 157165887
N-[(1R)-2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-cyanophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;4-methyl-N-[2-phenyl-1,1-bis[6-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
CID 157268991
bis(6-(1-benzylpiperidin-4-yl)oxy-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;bis(6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 157733810
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
1-Chloro-2-fluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1,2-dichloro-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzamide;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1-propan-2-yl-4-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
CID 158446095
N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 159446430
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(3-fluoro-4-methylphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-fluoro-4-methylphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;4-(3,4-difluorophenyl)-3-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-[4-methyl-3-(trifluoromethyl)phenyl]butan-1-one
CID 159559373

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (CID 158994999) is 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cc(C)cc(Cl)c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccc(Cl)c4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4Cl)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccnc4)CC3)c(F)c12.
What is the InChIKey of 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The InChIKey is JQQBKKXRVDYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2.C24H26ClFN2O2.C24H27FN2O2.2C23H24ClFN2O2.C23H31FN2O2.2C22H24FN3O2.C20H25F3N2O2/c1-2-19-16-29-27(31)23-9-10-24(26(28)25(19)23)32-22-11-13-30(14-12-22)17-18-7-8-20-5-3-4-6-21(20)15-18;1-3-17-13-27-24(29)20-4-5-21(23(26)22(17)20)30-19-6-8-28(9-7-19)14-16-10-15(2)11-18(25)12-16;1-3-18-14-26-24(28)20-8-9-21(23(25)22(18)20)29-19-10-12-27(13-11-19)15-17-6-4-16(2)5-7-17;1-2-16-13-26-23(28)19-6-7-20(22(25)21(16)19)29-18-8-10-27(11-9-18)14-15-4-3-5-17(24)12-15;1-2-15-13-26-23(28)18-7-8-20(22(25)21(15)18)29-17-9-11-27(12-10-17)14-16-5-3-4-6-19(16)24;1-2-17-14-25-23(27)19-8-9-20(22(24)21(17)19)28-18-10-12-26(13-11-18)15-16-6-4-3-5-7-16;1-2-16-13-25-22(27)18-5-6-19(21(23)20(16)18)28-17-7-10-26(11-8-17)14-15-4-3-9-24-12-15;1-2-15-13-25-22(27)18-6-7-19(21(23)20(15)18)28-17-8-11-26(12-9-17)14-16-5-3-4-10-24-16;1-3-13-12-24-19(26)15-4-5-16(18(21)17(13)15)27-14-6-9-25(10-7-14)11-8-20(2,22)23/h3-10,15-16,22H,2,11-14,17H2,1H3,(H,29,31);4-5,10-13,19H,3,6-9,14H2,1-2H3,(H,27,29);4-9,14,19H,3,10-13,15H2,1-2H3,(H,26,28);3-7,12-13,18H,2,8-11,14H2,1H3,(H,26,28);3-8,13,17H,2,9-12,14H2,1H3,(H,26,28);8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,25,27);3-6,9,12-13,17H,2,7-8,10-11,14H2,1H3,(H,25,27);3-7,10,13,17H,2,8-9,11-12,14H2,1H3,(H,25,27);4-5,12,14H,3,6-11H2,1-2H3,(H,24,26).
What are the key properties of 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one has a molecular weight of 3615.60 g/mol, XLogP of 41.20, 46 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 158994999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).