4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one

C243H216Cl6F10N28O13 — CID 161444576

IUPAC4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one
SMILESCCc1cc(C)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(C(C)C)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)F)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1cccc(F)c1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccccc1F)C2.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(Cl)cc3)C4=O)CC2)cc1.N#Cc1ccc(CN2CCN(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(OC(F)(F)F)cc3)C4=O)CC2)cc1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccccn4)c3)cc2CN1CCCc1ccccc1.O=C1c2c(Cl)cc(-c3cnn(Cc4cccnc4)c3)cc2CN1CCCc1ccccc1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccncc4)c3)cc2CN1CCCc1ccccc1
InChIInChI=1S/C29H27Cl2N3O.C29H26ClF3N4O2.3C26H23ClN4O.C24H24N2O.C22H18F2N2O2.2C21H17FN2O.C19H18F3NO2/c30-26-7-5-23(6-8-26)18-34-19-25-14-24(15-27(31)28(25)29(34)35)13-20-9-11-33(12-10-20)17-22-3-1-21(16-32)2-4-22;30-26-14-23(17-36-11-9-35(10-12-36)16-21-3-1-20(15-34)2-4-21)13-24-19-37(28(38)27(24)26)18-22-5-7-25(8-6-22)39-29(31,32)33;27-24-13-21(23-15-29-31(18-23)16-20-8-4-10-28-14-20)12-22-17-30(26(32)25(22)24)11-5-9-19-6-2-1-3-7-19;27-24-14-20(22-15-29-31(17-22)18-23-10-4-5-11-28-23)13-21-16-30(26(32)25(21)24)12-6-9-19-7-2-1-3-8-19;27-24-14-21(23-15-29-31(18-23)16-20-8-10-28-11-9-20)13-22-17-30(26(32)25(22)24)12-4-7-19-5-2-1-3-6-19;1-16(2)19-8-6-18(7-9-19)14-26-15-22-12-21(20-5-4-10-25-13-20)11-17(3)23(22)24(26)27;1-14-9-17(16-3-2-8-25-11-16)10-18-13-26(21(27)20(14)18)12-15-4-6-19(7-5-15)28-22(23)24;1-14-8-17(16-5-3-7-23-11-16)10-18-13-24(21(25)20(14)18)12-15-4-2-6-19(22)9-15;1-14-9-17(15-6-4-8-23-11-15)10-18-13-24(21(25)20(14)18)12-16-5-2-3-7-19(16)22;1-3-13-8-12(2)17-15(9-13)11-23(18(17)24)10-14-4-6-16(7-5-14)25-19(20,21)22/h1-8,14-15,20H,9-13,17-19H2;1-8,13-14H,9-12,16-19H2;1-4,6-8,10,12-15,18H,5,9,11,16-17H2;1-5,7-8,10-11,13-15,17H,6,9,12,16,18H2;1-3,5-6,8-11,13-15,18H,4,7,12,16-17H2;4-13,16H,14-15H2,1-3H3;2-11,22H,12-13H2,1H3;2*2-11H,12-13H2,1H3;4-9H,3,10-11H2,1-2H3
InChIKeyVZSMNHYZIJKHRL-UHFFFAOYSA-N
MW4139.28 g/mol
LogP51.23
Rot. Bonds53

About 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one

4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 161444576) has the molecular formula C243H216Cl6F10N28O13 and a molecular weight of 4139.28 g/mol. Its IUPAC name is 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one
PubChem CID161444576
Molecular FormulaC243H216Cl6F10N28O13
Molecular Weight4139.28 g/mol
Exact Mass4133.51
IUPAC Name4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one
SMILESCCc1cc(C)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(C(C)C)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)F)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1cccc(F)c1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccccc1F)C2.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(Cl)cc3)C4=O)CC2)cc1.N#Cc1ccc(CN2CCN(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(OC(F)(F)F)cc3)C4=O)CC2)cc1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccccn4)c3)cc2CN1CCCc1ccccc1.O=C1c2c(Cl)cc(-c3cnn(Cc4cccnc4)c3)cc2CN1CCCc1ccccc1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccncc4)c3)cc2CN1CCCc1ccccc1
InChIInChI=1S/C29H27Cl2N3O.C29H26ClF3N4O2.3C26H23ClN4O.C24H24N2O.C22H18F2N2O2.2C21H17FN2O.C19H18F3NO2/c30-26-7-5-23(6-8-26)18-34-19-25-14-24(15-27(31)28(25)29(34)35)13-20-9-11-33(12-10-20)17-22-3-1-21(16-32)2-4-22;30-26-14-23(17-36-11-9-35(10-12-36)16-21-3-1-20(15-34)2-4-21)13-24-19-37(28(38)27(24)26)18-22-5-7-25(8-6-22)39-29(31,32)33;27-24-13-21(23-15-29-31(18-23)16-20-8-4-10-28-14-20)12-22-17-30(26(32)25(22)24)11-5-9-19-6-2-1-3-7-19;27-24-14-20(22-15-29-31(17-22)18-23-10-4-5-11-28-23)13-21-16-30(26(32)25(21)24)12-6-9-19-7-2-1-3-8-19;27-24-14-21(23-15-29-31(18-23)16-20-8-10-28-11-9-20)13-22-17-30(26(32)25(22)24)12-4-7-19-5-2-1-3-6-19;1-16(2)19-8-6-18(7-9-19)14-26-15-22-12-21(20-5-4-10-25-13-20)11-17(3)23(22)24(26)27;1-14-9-17(16-3-2-8-25-11-16)10-18-13-26(21(27)20(14)18)12-15-4-6-19(7-5-15)28-22(23)24;1-14-8-17(16-5-3-7-23-11-16)10-18-13-24(21(25)20(14)18)12-15-4-2-6-19(22)9-15;1-14-9-17(15-6-4-8-23-11-15)10-18-13-24(21(25)20(14)18)12-16-5-2-3-7-19(16)22;1-3-13-8-12(2)17-15(9-13)11-23(18(17)24)10-14-4-6-16(7-5-14)25-19(20,21)22/h1-8,14-15,20H,9-13,17-19H2;1-8,13-14H,9-12,16-19H2;1-4,6-8,10,12-15,18H,5,9,11,16-17H2;1-5,7-8,10-11,13-15,17H,6,9,12,16,18H2;1-3,5-6,8-11,13-15,18H,4,7,12,16-17H2;4-13,16H,14-15H2,1-3H3;2-11,22H,12-13H2,1H3;2*2-11H,12-13H2,1H3;4-9H,3,10-11H2,1-2H3
InChIKeyVZSMNHYZIJKHRL-UHFFFAOYSA-N
XLogP51.23
TPSA431.78 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds53
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004139.28
LogP ≤ 551.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one with MolForge

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Related Compounds

CID 157300143
CID 157300143
CID 157336893
CID 157336893
5-bromo-7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-3H-isoindol-1-one;5-bromo-7-chloro-2-(3-phenylprop-2-ynyl)-3H-isoindol-1-one;7-chloro-2-[3-(4-chlorophenyl)prop-2-ynyl]-5-pyridin-4-yl-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-pyridin-3-yl-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-pyridin-4-yl-3H-isoindol-1-one;7-chloro-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 157401504
CID 157995512
CID 157995512
Tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 158583881
CID 159007748
CID 159007748
CID 159037518
CID 159037518
5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 159070543
CID 159072814
CID 159072814
2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 159297410
6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 159798911
2-[(5-chloro-2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylprop-2-ynyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(dimethylamino)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-ethylphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-fluoro-7-iodo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(5-methyl-3-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 160035069

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one (CID 161444576) is 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one is CCc1cc(C)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(C(C)C)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)F)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1cccc(F)c1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccccc1F)C2.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(Cl)cc3)C4=O)CC2)cc1.N#Cc1ccc(CN2CCN(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(OC(F)(F)F)cc3)C4=O)CC2)cc1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccccn4)c3)cc2CN1CCCc1ccccc1.O=C1c2c(Cl)cc(-c3cnn(Cc4cccnc4)c3)cc2CN1CCCc1ccccc1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccncc4)c3)cc2CN1CCCc1ccccc1.
What is the InChIKey of 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is VZSMNHYZIJKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2N3O.C29H26ClF3N4O2.3C26H23ClN4O.C24H24N2O.C22H18F2N2O2.2C21H17FN2O.C19H18F3NO2/c30-26-7-5-23(6-8-26)18-34-19-25-14-24(15-27(31)28(25)29(34)35)13-20-9-11-33(12-10-20)17-22-3-1-21(16-32)2-4-22;30-26-14-23(17-36-11-9-35(10-12-36)16-21-3-1-20(15-34)2-4-21)13-24-19-37(28(38)27(24)26)18-22-5-7-25(8-6-22)39-29(31,32)33;27-24-13-21(23-15-29-31(18-23)16-20-8-4-10-28-14-20)12-22-17-30(26(32)25(22)24)11-5-9-19-6-2-1-3-7-19;27-24-14-20(22-15-29-31(17-22)18-23-10-4-5-11-28-23)13-21-16-30(26(32)25(21)24)12-6-9-19-7-2-1-3-8-19;27-24-14-21(23-15-29-31(18-23)16-20-8-10-28-11-9-20)13-22-17-30(26(32)25(22)24)12-4-7-19-5-2-1-3-6-19;1-16(2)19-8-6-18(7-9-19)14-26-15-22-12-21(20-5-4-10-25-13-20)11-17(3)23(22)24(26)27;1-14-9-17(16-3-2-8-25-11-16)10-18-13-26(21(27)20(14)18)12-15-4-6-19(7-5-15)28-22(23)24;1-14-8-17(16-5-3-7-23-11-16)10-18-13-24(21(25)20(14)18)12-15-4-2-6-19(22)9-15;1-14-9-17(15-6-4-8-23-11-15)10-18-13-24(21(25)20(14)18)12-16-5-2-3-7-19(16)22;1-3-13-8-12(2)17-15(9-13)11-23(18(17)24)10-14-4-6-16(7-5-14)25-19(20,21)22/h1-8,14-15,20H,9-13,17-19H2;1-8,13-14H,9-12,16-19H2;1-4,6-8,10,12-15,18H,5,9,11,16-17H2;1-5,7-8,10-11,13-15,17H,6,9,12,16,18H2;1-3,5-6,8-11,13-15,18H,4,7,12,16-17H2;4-13,16H,14-15H2,1-3H3;2-11,22H,12-13H2,1H3;2*2-11H,12-13H2,1H3;4-9H,3,10-11H2,1-2H3.
What are the key properties of 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one?
4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 4139.28 g/mol, XLogP of 51.23, 53 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-2-(3-phenylpropyl)-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[[4-(difluoromethoxy)phenyl]methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;5-ethyl-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(3-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;7-methyl-2-[(4-propan-2-ylphenyl)methyl]-5-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 161444576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).