7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

C266H269ClF27N25O20 — CID 159007748

IUPAC7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCCN1CCC(Cc2cc(C)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1.Cc1cc(CC2CCN(C(C)C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(C3CCCC3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3ccc(C#N)cc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3cccnc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3ccncc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N(C)Cc2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Nc2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.O=C1c2c(Cl)cc(-c3cccnc3)cc2CN1CC#Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H30F3N3O2.2C29H30F3N3O2.C28H19ClN2O2.C28H33F3N2O2.C26H31F3N2O2.C25H29F3N2O2.C24H22F3N3O2.C24H27F3N2O2.C22H18F3N3O2/c1-21-14-26(15-22-10-12-36(13-11-22)18-24-4-2-23(17-35)3-5-24)16-27-20-37(30(38)29(21)27)19-25-6-8-28(9-7-25)39-31(32,33)34;1-20-14-24(15-21-8-12-34(13-9-21)17-23-6-10-33-11-7-23)16-25-19-35(28(36)27(20)25)18-22-2-4-26(5-3-22)37-29(30,31)32;1-20-13-24(14-21-8-11-34(12-9-21)17-23-3-2-10-33-16-23)15-25-19-35(28(36)27(20)25)18-22-4-6-26(7-5-22)37-29(30,31)32;29-26-17-22(21-7-4-14-30-18-21)16-23-19-31(28(32)27(23)26)15-5-6-20-10-12-25(13-11-20)33-24-8-2-1-3-9-24;1-19-14-22(15-20-10-12-32(13-11-20)24-4-2-3-5-24)16-23-18-33(27(34)26(19)23)17-21-6-8-25(9-7-21)35-28(29,30)31;1-17(2)30-10-8-19(9-11-30)13-21-12-18(3)24-22(14-21)16-31(25(24)32)15-20-4-6-23(7-5-20)33-26(27,28)29;1-3-29-10-8-18(9-11-29)13-20-12-17(2)23-21(14-20)16-30(24(23)31)15-19-4-6-22(7-5-19)32-25(26,27)28;1-16-10-20(29(2)13-18-4-3-9-28-12-18)11-19-15-30(23(31)22(16)19)14-17-5-7-21(8-6-17)32-24(25,26)27;1-16-11-19(12-17-7-9-28(2)10-8-17)13-20-15-29(23(30)22(16)20)14-18-3-5-21(6-4-18)31-24(25,26)27;1-14-9-18(27-17-3-2-8-26-11-17)10-16-13-28(21(29)20(14)16)12-15-4-6-19(7-5-15)30-22(23,24)25/h2-9,14,16,22H,10-13,15,18-20H2,1H3;2-7,10-11,14,16,21H,8-9,12-13,15,17-19H2,1H3;2-7,10,13,15-16,21H,8-9,11-12,14,17-19H2,1H3;1-4,7-14,16-18H,15,19H2;6-9,14,16,20,24H,2-5,10-13,15,17-18H2,1H3;4-7,12,14,17,19H,8-11,13,15-16H2,1-3H3;4-7,12,14,18H,3,8-11,13,15-16H2,1-2H3;3-12H,13-15H2,1-2H3;3-6,11,13,17H,7-10,12,14-15H2,1-2H3;2-11,27H,12-13H2,1H3
InChIKeyJSCZVWVROYBKCU-UHFFFAOYSA-N
MW4684.63 g/mol
LogP56.86
Rot. Bonds59

About 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 159007748) has the molecular formula C266H269ClF27N25O20 and a molecular weight of 4684.63 g/mol. Its IUPAC name is 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
PubChem CID159007748
Molecular FormulaC266H269ClF27N25O20
Molecular Weight4684.63 g/mol
Exact Mass4681.01
IUPAC Name7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCCN1CCC(Cc2cc(C)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1.Cc1cc(CC2CCN(C(C)C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(C3CCCC3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3ccc(C#N)cc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3cccnc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3ccncc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N(C)Cc2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Nc2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.O=C1c2c(Cl)cc(-c3cccnc3)cc2CN1CC#Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H30F3N3O2.2C29H30F3N3O2.C28H19ClN2O2.C28H33F3N2O2.C26H31F3N2O2.C25H29F3N2O2.C24H22F3N3O2.C24H27F3N2O2.C22H18F3N3O2/c1-21-14-26(15-22-10-12-36(13-11-22)18-24-4-2-23(17-35)3-5-24)16-27-20-37(30(38)29(21)27)19-25-6-8-28(9-7-25)39-31(32,33)34;1-20-14-24(15-21-8-12-34(13-9-21)17-23-6-10-33-11-7-23)16-25-19-35(28(36)27(20)25)18-22-2-4-26(5-3-22)37-29(30,31)32;1-20-13-24(14-21-8-11-34(12-9-21)17-23-3-2-10-33-16-23)15-25-19-35(28(36)27(20)25)18-22-4-6-26(7-5-22)37-29(30,31)32;29-26-17-22(21-7-4-14-30-18-21)16-23-19-31(28(32)27(23)26)15-5-6-20-10-12-25(13-11-20)33-24-8-2-1-3-9-24;1-19-14-22(15-20-10-12-32(13-11-20)24-4-2-3-5-24)16-23-18-33(27(34)26(19)23)17-21-6-8-25(9-7-21)35-28(29,30)31;1-17(2)30-10-8-19(9-11-30)13-21-12-18(3)24-22(14-21)16-31(25(24)32)15-20-4-6-23(7-5-20)33-26(27,28)29;1-3-29-10-8-18(9-11-29)13-20-12-17(2)23-21(14-20)16-30(24(23)31)15-19-4-6-22(7-5-19)32-25(26,27)28;1-16-10-20(29(2)13-18-4-3-9-28-12-18)11-19-15-30(23(31)22(16)19)14-17-5-7-21(8-6-17)32-24(25,26)27;1-16-11-19(12-17-7-9-28(2)10-8-17)13-20-15-29(23(30)22(16)20)14-18-3-5-21(6-4-18)31-24(25,26)27;1-14-9-18(27-17-3-2-8-26-11-17)10-16-13-28(21(29)20(14)16)12-15-4-6-19(7-5-15)30-22(23,24)25/h2-9,14,16,22H,10-13,15,18-20H2,1H3;2-7,10-11,14,16,21H,8-9,12-13,15,17-19H2,1H3;2-7,10,13,15-16,21H,8-9,11-12,14,17-19H2,1H3;1-4,7-14,16-18H,15,19H2;6-9,14,16,20,24H,2-5,10-13,15,17-18H2,1H3;4-7,12,14,17,19H,8-11,13,15-16H2,1-3H3;4-7,12,14,18H,3,8-11,13,15-16H2,1-2H3;3-12H,13-15H2,1-2H3;3-6,11,13,17H,7-10,12,14-15H2,1-2H3;2-11,27H,12-13H2,1H3
InChIKeyJSCZVWVROYBKCU-UHFFFAOYSA-N
XLogP56.86
TPSA421.59 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds59
Heavy Atoms339
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004684.63
LogP ≤ 556.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (CID 159007748) is 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is CCN1CCC(Cc2cc(C)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1.Cc1cc(CC2CCN(C(C)C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(C3CCCC3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3ccc(C#N)cc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3cccnc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(CC2CCN(Cc3ccncc3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N(C)Cc2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(Nc2cccnc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.O=C1c2c(Cl)cc(-c3cccnc3)cc2CN1CC#Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is JSCZVWVROYBKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N3O2.2C29H30F3N3O2.C28H19ClN2O2.C28H33F3N2O2.C26H31F3N2O2.C25H29F3N2O2.C24H22F3N3O2.C24H27F3N2O2.C22H18F3N3O2/c1-21-14-26(15-22-10-12-36(13-11-22)18-24-4-2-23(17-35)3-5-24)16-27-20-37(30(38)29(21)27)19-25-6-8-28(9-7-25)39-31(32,33)34;1-20-14-24(15-21-8-12-34(13-9-21)17-23-6-10-33-11-7-23)16-25-19-35(28(36)27(20)25)18-22-2-4-26(5-3-22)37-29(30,31)32;1-20-13-24(14-21-8-11-34(12-9-21)17-23-3-2-10-33-16-23)15-25-19-35(28(36)27(20)25)18-22-4-6-26(7-5-22)37-29(30,31)32;29-26-17-22(21-7-4-14-30-18-21)16-23-19-31(28(32)27(23)26)15-5-6-20-10-12-25(13-11-20)33-24-8-2-1-3-9-24;1-19-14-22(15-20-10-12-32(13-11-20)24-4-2-3-5-24)16-23-18-33(27(34)26(19)23)17-21-6-8-25(9-7-21)35-28(29,30)31;1-17(2)30-10-8-19(9-11-30)13-21-12-18(3)24-22(14-21)16-31(25(24)32)15-20-4-6-23(7-5-20)33-26(27,28)29;1-3-29-10-8-18(9-11-29)13-20-12-17(2)23-21(14-20)16-30(24(23)31)15-19-4-6-22(7-5-19)32-25(26,27)28;1-16-10-20(29(2)13-18-4-3-9-28-12-18)11-19-15-30(23(31)22(16)19)14-17-5-7-21(8-6-17)32-24(25,26)27;1-16-11-19(12-17-7-9-28(2)10-8-17)13-20-15-29(23(30)22(16)20)14-18-3-5-21(6-4-18)31-24(25,26)27;1-14-9-18(27-17-3-2-8-26-11-17)10-16-13-28(21(29)20(14)16)12-15-4-6-19(7-5-15)30-22(23,24)25/h2-9,14,16,22H,10-13,15,18-20H2,1H3;2-7,10-11,14,16,21H,8-9,12-13,15,17-19H2,1H3;2-7,10,13,15-16,21H,8-9,11-12,14,17-19H2,1H3;1-4,7-14,16-18H,15,19H2;6-9,14,16,20,24H,2-5,10-13,15,17-18H2,1H3;4-7,12,14,17,19H,8-11,13,15-16H2,1-3H3;4-7,12,14,18H,3,8-11,13,15-16H2,1-2H3;3-12H,13-15H2,1-2H3;3-6,11,13,17H,7-10,12,14-15H2,1-2H3;2-11,27H,12-13H2,1H3.
What are the key properties of 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 4684.63 g/mol, XLogP of 56.86, 59 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[3-(4-phenoxyphenyl)prop-2-ynyl]-5-pyridin-3-yl-3H-isoindol-1-one;5-[(1-cyclopentylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[methyl(pyridin-3-ylmethyl)amino]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[[4-[[7-methyl-1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-5-yl]methyl]piperidin-1-yl]methyl]benzonitrile;7-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-(pyridin-3-ylamino)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 159007748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).