7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile

C258H248Cl8F11N27O15 — CID 162250940

IUPAC7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile
SMILESCCc1cc(Cl)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O.CN1CCC(Cc2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1.COc1ccc(CN2Cc3cc(-c4cccnc4)cc(C)c3C2=O)cc1.Cc1cc(-c2cccnc2)cc2c1C(=O)N(CC1CC1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(C#N)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(F)cc1)C2.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(CC3CC3)C4=O)CC2)cc1.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(OC(F)(F)F)cc3)C4=O)CC2)cc1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1CC1CC1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1Cc1ccc(Cl)cc1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C30H27ClF3N3O2.C27H27Cl2N3O.C27H27ClFN3O.C26H28ClN3O.C24H28ClN3O.C23H24ClF3N2O2.C22H17N3O.C22H20N2O2.C21H17FN2O.C18H15ClF3NO2.C18H18N2O/c31-27-15-24(13-20-9-11-36(12-10-20)17-22-3-1-21(16-35)2-4-22)14-25-19-37(29(38)28(25)27)18-23-5-7-26(8-6-23)39-30(32,33)34;28-24-3-1-20(2-4-24)17-32-18-23-14-22(15-25(29)26(23)27(32)33)13-19-7-11-31(12-8-19)16-21-5-9-30-10-6-21;28-25-15-22(13-19-7-11-31(12-8-19)16-21-5-9-30-10-6-21)14-23-18-32(27(33)26(23)25)17-20-1-3-24(29)4-2-20;27-24-13-22(12-23-17-30(16-21-5-6-21)26(31)25(23)24)11-18-7-9-29(10-8-18)15-20-3-1-19(14-28)2-4-20;25-22-13-20(12-21-16-28(15-18-1-2-18)24(29)23(21)22)11-17-5-9-27(10-6-17)14-19-3-7-26-8-4-19;1-28-8-6-15(7-9-28)10-17-11-18-14-29(22(30)21(18)20(24)12-17)13-16-2-4-19(5-3-16)31-23(25,26)27;1-15-9-19(18-3-2-8-24-12-18)10-20-14-25(22(26)21(15)20)13-17-6-4-16(11-23)5-7-17;1-15-10-18(17-4-3-9-23-12-17)11-19-14-24(22(25)21(15)19)13-16-5-7-20(26-2)8-6-16;1-14-9-17(16-3-2-8-23-11-16)10-18-13-24(21(25)20(14)18)12-15-4-6-19(22)7-5-15;1-2-11-7-13-10-23(17(24)16(13)15(19)8-11)9-12-3-5-14(6-4-12)25-18(20,21)22;1-12-7-15(14-3-2-6-19-9-14)8-16-11-20(10-13-4-5-13)18(21)17(12)16/h1-8,14-15,20H,9-13,17-19H2;2*1-6,9-10,14-15,19H,7-8,11-13,16-18H2;1-4,12-13,18,21H,5-11,15-17H2;3-4,7-8,12-13,17-18H,1-2,5-6,9-11,14-16H2;2-5,11-12,15H,6-10,13-14H2,1H3;2-10,12H,13-14H2,1H3;3-12H,13-14H2,1-2H3;2-11H,12-13H2,1H3;3-8H,2,9-10H2,1H3;2-3,6-9,13H,4-5,10-11H2,1H3
InChIKeyZXZCZAYQGLMJJT-UHFFFAOYSA-N
MW4459.60 g/mol
LogP54.11
Rot. Bonds53

About 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile

7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile (PubChem CID 162250940) has the molecular formula C258H248Cl8F11N27O15 and a molecular weight of 4459.60 g/mol. Its IUPAC name is 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile.

Molecular Properties

Compound Name7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile
PubChem CID162250940
Molecular FormulaC258H248Cl8F11N27O15
Molecular Weight4459.60 g/mol
Exact Mass4452.68
IUPAC Name7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile
SMILESCCc1cc(Cl)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O.CN1CCC(Cc2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1.COc1ccc(CN2Cc3cc(-c4cccnc4)cc(C)c3C2=O)cc1.Cc1cc(-c2cccnc2)cc2c1C(=O)N(CC1CC1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(C#N)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(F)cc1)C2.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(CC3CC3)C4=O)CC2)cc1.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(OC(F)(F)F)cc3)C4=O)CC2)cc1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1CC1CC1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1Cc1ccc(Cl)cc1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C30H27ClF3N3O2.C27H27Cl2N3O.C27H27ClFN3O.C26H28ClN3O.C24H28ClN3O.C23H24ClF3N2O2.C22H17N3O.C22H20N2O2.C21H17FN2O.C18H15ClF3NO2.C18H18N2O/c31-27-15-24(13-20-9-11-36(12-10-20)17-22-3-1-21(16-35)2-4-22)14-25-19-37(29(38)28(25)27)18-23-5-7-26(8-6-23)39-30(32,33)34;28-24-3-1-20(2-4-24)17-32-18-23-14-22(15-25(29)26(23)27(32)33)13-19-7-11-31(12-8-19)16-21-5-9-30-10-6-21;28-25-15-22(13-19-7-11-31(12-8-19)16-21-5-9-30-10-6-21)14-23-18-32(27(33)26(23)25)17-20-1-3-24(29)4-2-20;27-24-13-22(12-23-17-30(16-21-5-6-21)26(31)25(23)24)11-18-7-9-29(10-8-18)15-20-3-1-19(14-28)2-4-20;25-22-13-20(12-21-16-28(15-18-1-2-18)24(29)23(21)22)11-17-5-9-27(10-6-17)14-19-3-7-26-8-4-19;1-28-8-6-15(7-9-28)10-17-11-18-14-29(22(30)21(18)20(24)12-17)13-16-2-4-19(5-3-16)31-23(25,26)27;1-15-9-19(18-3-2-8-24-12-18)10-20-14-25(22(26)21(15)20)13-17-6-4-16(11-23)5-7-17;1-15-10-18(17-4-3-9-23-12-17)11-19-14-24(22(25)21(15)19)13-16-5-7-20(26-2)8-6-16;1-14-9-17(16-3-2-8-23-11-16)10-18-13-24(21(25)20(14)18)12-15-4-6-19(22)7-5-15;1-2-11-7-13-10-23(17(24)16(13)15(19)8-11)9-12-3-5-14(6-4-12)25-18(20,21)22;1-12-7-15(14-3-2-6-19-9-14)8-16-11-20(10-13-4-5-13)18(21)17(12)16/h1-8,14-15,20H,9-13,17-19H2;2*1-6,9-10,14-15,19H,7-8,11-13,16-18H2;1-4,12-13,18,21H,5-11,15-17H2;3-4,7-8,12-13,17-18H,1-2,5-6,9-11,14-16H2;2-5,11-12,15H,6-10,13-14H2,1H3;2-10,12H,13-14H2,1H3;3-12H,13-14H2,1-2H3;2-11H,12-13H2,1H3;3-8H,2,9-10H2,1H3;2-3,6-9,13H,4-5,10-11H2,1H3
InChIKeyZXZCZAYQGLMJJT-UHFFFAOYSA-N
XLogP54.11
TPSA441.37 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds53
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004459.60
LogP ≤ 554.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile?
The IUPAC name of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile (CID 162250940) is 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile.
What is the SMILES notation for 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile?
The canonical SMILES for 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile is CCc1cc(Cl)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O.CN1CCC(Cc2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1.COc1ccc(CN2Cc3cc(-c4cccnc4)cc(C)c3C2=O)cc1.Cc1cc(-c2cccnc2)cc2c1C(=O)N(CC1CC1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(C#N)cc1)C2.Cc1cc(-c2cccnc2)cc2c1C(=O)N(Cc1ccc(F)cc1)C2.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(CC3CC3)C4=O)CC2)cc1.N#Cc1ccc(CN2CCC(Cc3cc(Cl)c4c(c3)CN(Cc3ccc(OC(F)(F)F)cc3)C4=O)CC2)cc1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1CC1CC1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1Cc1ccc(Cl)cc1.O=C1c2c(Cl)cc(CC3CCN(Cc4ccncc4)CC3)cc2CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile?
The InChIKey is ZXZCZAYQGLMJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClF3N3O2.C27H27Cl2N3O.C27H27ClFN3O.C26H28ClN3O.C24H28ClN3O.C23H24ClF3N2O2.C22H17N3O.C22H20N2O2.C21H17FN2O.C18H15ClF3NO2.C18H18N2O/c31-27-15-24(13-20-9-11-36(12-10-20)17-22-3-1-21(16-35)2-4-22)14-25-19-37(29(38)28(25)27)18-23-5-7-26(8-6-23)39-30(32,33)34;28-24-3-1-20(2-4-24)17-32-18-23-14-22(15-25(29)26(23)27(32)33)13-19-7-11-31(12-8-19)16-21-5-9-30-10-6-21;28-25-15-22(13-19-7-11-31(12-8-19)16-21-5-9-30-10-6-21)14-23-18-32(27(33)26(23)25)17-20-1-3-24(29)4-2-20;27-24-13-22(12-23-17-30(16-21-5-6-21)26(31)25(23)24)11-18-7-9-29(10-8-18)15-20-3-1-19(14-28)2-4-20;25-22-13-20(12-21-16-28(15-18-1-2-18)24(29)23(21)22)11-17-5-9-27(10-6-17)14-19-3-7-26-8-4-19;1-28-8-6-15(7-9-28)10-17-11-18-14-29(22(30)21(18)20(24)12-17)13-16-2-4-19(5-3-16)31-23(25,26)27;1-15-9-19(18-3-2-8-24-12-18)10-20-14-25(22(26)21(15)20)13-17-6-4-16(11-23)5-7-17;1-15-10-18(17-4-3-9-23-12-17)11-19-14-24(22(25)21(15)19)13-16-5-7-20(26-2)8-6-16;1-14-9-17(16-3-2-8-23-11-16)10-18-13-24(21(25)20(14)18)12-15-4-6-19(22)7-5-15;1-2-11-7-13-10-23(17(24)16(13)15(19)8-11)9-12-3-5-14(6-4-12)25-18(20,21)22;1-12-7-15(14-3-2-6-19-9-14)8-16-11-20(10-13-4-5-13)18(21)17(12)16/h1-8,14-15,20H,9-13,17-19H2;2*1-6,9-10,14-15,19H,7-8,11-13,16-18H2;1-4,12-13,18,21H,5-11,15-17H2;3-4,7-8,12-13,17-18H,1-2,5-6,9-11,14-16H2;2-5,11-12,15H,6-10,13-14H2,1H3;2-10,12H,13-14H2,1H3;3-12H,13-14H2,1-2H3;2-11H,12-13H2,1H3;3-8H,2,9-10H2,1H3;2-3,6-9,13H,4-5,10-11H2,1H3.
What are the key properties of 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile?
7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile has a molecular weight of 4459.60 g/mol, XLogP of 54.11, 53 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-chlorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-2-(cyclopropylmethyl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-chloro-2-(cyclopropylmethyl)-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-fluorophenyl)methyl]-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one;7-chloro-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-chloro-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;2-(cyclopropylmethyl)-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-fluorophenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-7-methyl-5-pyridin-3-yl-3H-isoindol-1-one;4-[(4-methyl-3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)methyl]benzonitrile is sourced from PubChem (CID 162250940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).