5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

C219H186Cl7F21N30O16 — CID 161374790

IUPAC5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCN1CCN(CC#Cc2cc(Cl)c3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1.Cc1cc(-c2ccc(N)nc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cnn(Cc3ccccc3)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cnn(Cc3ccncc3)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(CCc3ccccn3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cn1cc(-c2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)cn1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccncc4)c3)cc2CN1Cc1ccc(Cl)cc1.O=C1c2c(Cl)cc(N3CCN(CCc4ccncc4)CC3)cc2CN1Cc1ccc(OC(F)(F)F)cc1.O=Cc1cnccc1-c1cc(Cl)c2c(c1)CN(Cc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C28H29F3N4O2.C27H26ClF3N4O2.C27H22F3N3O2.C26H21F3N4O2.C24H18Cl2N4O.C24H23ClF3N3O.C22H18F3N3O2.C21H14Cl2N2O2.C20H15ClF3N3O2/c1-20-16-24(34-14-12-33(13-15-34)11-9-23-4-2-3-10-32-23)17-22-19-35(27(36)26(20)22)18-21-5-7-25(8-6-21)37-28(29,30)31;28-24-16-22(34-13-11-33(12-14-34)10-7-19-5-8-32-9-6-19)15-21-18-35(26(36)25(21)24)17-20-1-3-23(4-2-20)37-27(29,30)31;1-18-11-21(23-13-31-33(17-23)15-19-5-3-2-4-6-19)12-22-16-32(26(34)25(18)22)14-20-7-9-24(10-8-20)35-27(28,29)30;1-17-10-20(22-12-31-33(16-22)14-19-6-8-30-9-7-19)11-21-15-32(25(34)24(17)21)13-18-2-4-23(5-3-18)35-26(27,28)29;25-21-3-1-16(2-4-21)12-29-14-19-9-18(10-22(26)23(19)24(29)31)20-11-28-30(15-20)13-17-5-7-27-8-6-17;1-29-9-11-30(12-10-29)8-2-3-18-13-19-16-31(23(32)22(19)21(25)14-18)15-17-4-6-20(7-5-17)24(26,27)28;1-13-8-16(15-4-7-19(26)27-10-15)9-17-12-28(21(29)20(13)17)11-14-2-5-18(6-3-14)30-22(23,24)25;22-17-3-1-13(2-4-17)10-25-11-15-7-14(8-19(23)20(15)21(25)27)18-5-6-24-9-16(18)12-26;1-26-10-15(8-25-26)13-6-14-11-27(19(28)18(14)17(21)7-13)9-12-2-4-16(5-3-12)29-20(22,23)24/h2-8,10,16-17H,9,11-15,18-19H2,1H3;1-6,8-9,15-16H,7,10-14,17-18H2;2-13,17H,14-16H2,1H3;2-12,16H,13-15H2,1H3;1-11,15H,12-14H2;4-7,13-14H,8-12,15-16H2,1H3;2-10H,11-12H2,1H3,(H2,26,27);1-9,12H,10-11H2;2-8,10H,9,11H2,1H3
InChIKeyVQXXCPZBCVMCNH-UHFFFAOYSA-N
MW4141.22 g/mol
LogP45.36
Rot. Bonds46

About 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one

5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 161374790) has the molecular formula C219H186Cl7F21N30O16 and a molecular weight of 4141.22 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
PubChem CID161374790
Molecular FormulaC219H186Cl7F21N30O16
Molecular Weight4141.22 g/mol
Exact Mass4135.21
IUPAC Name5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
SMILESCN1CCN(CC#Cc2cc(Cl)c3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1.Cc1cc(-c2ccc(N)nc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cnn(Cc3ccccc3)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cnn(Cc3ccncc3)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(CCc3ccccn3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cn1cc(-c2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)cn1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccncc4)c3)cc2CN1Cc1ccc(Cl)cc1.O=C1c2c(Cl)cc(N3CCN(CCc4ccncc4)CC3)cc2CN1Cc1ccc(OC(F)(F)F)cc1.O=Cc1cnccc1-c1cc(Cl)c2c(c1)CN(Cc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C28H29F3N4O2.C27H26ClF3N4O2.C27H22F3N3O2.C26H21F3N4O2.C24H18Cl2N4O.C24H23ClF3N3O.C22H18F3N3O2.C21H14Cl2N2O2.C20H15ClF3N3O2/c1-20-16-24(34-14-12-33(13-15-34)11-9-23-4-2-3-10-32-23)17-22-19-35(27(36)26(20)22)18-21-5-7-25(8-6-21)37-28(29,30)31;28-24-16-22(34-13-11-33(12-14-34)10-7-19-5-8-32-9-6-19)15-21-18-35(26(36)25(21)24)17-20-1-3-23(4-2-20)37-27(29,30)31;1-18-11-21(23-13-31-33(17-23)15-19-5-3-2-4-6-19)12-22-16-32(26(34)25(18)22)14-20-7-9-24(10-8-20)35-27(28,29)30;1-17-10-20(22-12-31-33(16-22)14-19-6-8-30-9-7-19)11-21-15-32(25(34)24(17)21)13-18-2-4-23(5-3-18)35-26(27,28)29;25-21-3-1-16(2-4-21)12-29-14-19-9-18(10-22(26)23(19)24(29)31)20-11-28-30(15-20)13-17-5-7-27-8-6-17;1-29-9-11-30(12-10-29)8-2-3-18-13-19-16-31(23(32)22(19)21(25)14-18)15-17-4-6-20(7-5-17)24(26,27)28;1-13-8-16(15-4-7-19(26)27-10-15)9-17-12-28(21(29)20(13)17)11-14-2-5-18(6-3-14)30-22(23,24)25;22-17-3-1-13(2-4-17)10-25-11-15-7-14(8-19(23)20(15)21(25)27)18-5-6-24-9-16(18)12-26;1-26-10-15(8-25-26)13-6-14-11-27(19(28)18(14)17(21)7-13)9-12-2-4-16(5-3-12)29-20(22,23)24/h2-8,10,16-17H,9,11-15,18-19H2,1H3;1-6,8-9,15-16H,7,10-14,17-18H2;2-13,17H,14-16H2,1H3;2-12,16H,13-15H2,1H3;1-11,15H,12-14H2;4-7,13-14H,8-12,15-16H2,1H3;2-10H,11-12H2,1H3,(H2,26,27);1-9,12H,10-11H2;2-8,10H,9,11H2,1H3
InChIKeyVQXXCPZBCVMCNH-UHFFFAOYSA-N
XLogP45.36
TPSA449.32 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds46
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004141.22
LogP ≤ 545.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one (CID 161374790) is 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is CN1CCN(CC#Cc2cc(Cl)c3c(c2)CN(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1.Cc1cc(-c2ccc(N)nc2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cnn(Cc3ccccc3)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(-c2cnn(Cc3ccncc3)c2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cc1cc(N2CCN(CCc3ccccn3)CC2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2.Cn1cc(-c2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)cn1.O=C1c2c(Cl)cc(-c3cnn(Cc4ccncc4)c3)cc2CN1Cc1ccc(Cl)cc1.O=C1c2c(Cl)cc(N3CCN(CCc4ccncc4)CC3)cc2CN1Cc1ccc(OC(F)(F)F)cc1.O=Cc1cnccc1-c1cc(Cl)c2c(c1)CN(Cc1ccc(Cl)cc1)C2=O.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is VQXXCPZBCVMCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2.C27H26ClF3N4O2.C27H22F3N3O2.C26H21F3N4O2.C24H18Cl2N4O.C24H23ClF3N3O.C22H18F3N3O2.C21H14Cl2N2O2.C20H15ClF3N3O2/c1-20-16-24(34-14-12-33(13-15-34)11-9-23-4-2-3-10-32-23)17-22-19-35(27(36)26(20)22)18-21-5-7-25(8-6-21)37-28(29,30)31;28-24-16-22(34-13-11-33(12-14-34)10-7-19-5-8-32-9-6-19)15-21-18-35(26(36)25(21)24)17-20-1-3-23(4-2-20)37-27(29,30)31;1-18-11-21(23-13-31-33(17-23)15-19-5-3-2-4-6-19)12-22-16-32(26(34)25(18)22)14-20-7-9-24(10-8-20)35-27(28,29)30;1-17-10-20(22-12-31-33(16-22)14-19-6-8-30-9-7-19)11-21-15-32(25(34)24(17)21)13-18-2-4-23(5-3-18)35-26(27,28)29;25-21-3-1-16(2-4-21)12-29-14-19-9-18(10-22(26)23(19)24(29)31)20-11-28-30(15-20)13-17-5-7-27-8-6-17;1-29-9-11-30(12-10-29)8-2-3-18-13-19-16-31(23(32)22(19)21(25)14-18)15-17-4-6-20(7-5-17)24(26,27)28;1-13-8-16(15-4-7-19(26)27-10-15)9-17-12-28(21(29)20(13)17)11-14-2-5-18(6-3-14)30-22(23,24)25;22-17-3-1-13(2-4-17)10-25-11-15-7-14(8-19(23)20(15)21(25)27)18-5-6-24-9-16(18)12-26;1-26-10-15(8-25-26)13-6-14-11-27(19(28)18(14)17(21)7-13)9-12-2-4-16(5-3-12)29-20(22,23)24/h2-8,10,16-17H,9,11-15,18-19H2,1H3;1-6,8-9,15-16H,7,10-14,17-18H2;2-13,17H,14-16H2,1H3;2-12,16H,13-15H2,1H3;1-11,15H,12-14H2;4-7,13-14H,8-12,15-16H2,1H3;2-10H,11-12H2,1H3,(H2,26,27);1-9,12H,10-11H2;2-8,10H,9,11H2,1H3.
What are the key properties of 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one?
5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 4141.22 g/mol, XLogP of 45.36, 46 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-(1-benzylpyrazol-4-yl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;4-[7-chloro-2-[(4-chlorophenyl)methyl]-1-oxo-3H-isoindol-5-yl]pyridine-3-carbaldehyde;7-chloro-2-[(4-chlorophenyl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-3H-isoindol-1-one;7-chloro-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 161374790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).