4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C217H253N51O34 — CID 157069679

IUPAC4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)(C)N)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CN(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)COC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cnco6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(C)=O)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C29H36N6O4.C28H32N6O4.C28H34N6O4.C27H27N7O5.2C27H33N7O4.C26H30N6O5.C25H28N6O4/c1-18-8-9-23(26(37)32-18)35-27(38)21-6-5-7-22(25(21)28(35)39)30-15-19-16-31-34(17-19)20-10-12-33(13-11-20)24(36)14-29(2,3)4;1-17-5-8-23(26(36)31-17)34-27(37)21-3-2-4-22(25(21)28(34)38)29-14-19-15-30-33(16-19)20-9-11-32(12-10-20)24(35)13-18-6-7-18;1-17(2)13-24(35)32-11-9-20(10-12-32)33-16-19(15-30-33)14-29-22-6-4-5-21-25(22)28(38)34(27(21)37)23-8-7-18(3)31-26(23)36;1-16-5-6-21(24(35)31-16)34-25(36)19-3-2-4-20(23(19)27(34)38)29-11-17-12-30-33(14-17)18-7-9-32(10-8-18)26(37)22-13-28-15-39-22;1-17-7-8-22(25(36)30-17)34-26(37)20-5-4-6-21(24(20)27(34)38)28-13-18-14-29-33(15-18)19-9-11-32(12-10-19)23(35)16-31(2)3;1-16-7-8-21(23(35)31-16)34-24(36)19-5-4-6-20(22(19)25(34)37)29-13-17-14-30-33(15-17)18-9-11-32(12-10-18)26(38)27(2,3)28;1-16-6-7-21(24(34)29-16)32-25(35)19-4-3-5-20(23(19)26(32)36)27-12-17-13-28-31(14-17)18-8-10-30(11-9-18)22(33)15-37-2;1-15-6-7-21(23(33)28-15)31-24(34)19-4-3-5-20(22(19)25(31)35)26-12-17-13-27-30(14-17)18-8-10-29(11-9-18)16(2)32/h5-7,16-17,20,23,30H,1,8-15H2,2-4H3,(H,32,37);2-4,15-16,18,20,23,29H,1,5-14H2,(H,31,36);4-6,15-17,20,23,29H,3,7-14H2,1-2H3,(H,31,36);2-4,12-15,18,21,29H,1,5-11H2,(H,31,35);4-6,14-15,19,22,28H,1,7-13,16H2,2-3H3,(H,30,36);4-6,14-15,18,21,29H,1,7-13,28H2,2-3H3,(H,31,35);3-5,13-14,18,21,27H,1,6-12,15H2,2H3,(H,29,34);3-5,13-14,18,21,26H,1,6-12H2,2H3,(H,28,33)
InChIKeyACGXVOMSCVDPAZ-UHFFFAOYSA-N
MW4119.73 g/mol
LogP18.93
Rot. Bonds51

About 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 157069679) has the molecular formula C217H253N51O34 and a molecular weight of 4119.73 g/mol. Its IUPAC name is 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
PubChem CID157069679
Molecular FormulaC217H253N51O34
Molecular Weight4119.73 g/mol
Exact Mass4116.96
IUPAC Name4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)(C)N)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CN(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)COC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cnco6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(C)=O)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C29H36N6O4.C28H32N6O4.C28H34N6O4.C27H27N7O5.2C27H33N7O4.C26H30N6O5.C25H28N6O4/c1-18-8-9-23(26(37)32-18)35-27(38)21-6-5-7-22(25(21)28(35)39)30-15-19-16-31-34(17-19)20-10-12-33(13-11-20)24(36)14-29(2,3)4;1-17-5-8-23(26(36)31-17)34-27(37)21-3-2-4-22(25(21)28(34)38)29-14-19-15-30-33(16-19)20-9-11-32(12-10-20)24(35)13-18-6-7-18;1-17(2)13-24(35)32-11-9-20(10-12-32)33-16-19(15-30-33)14-29-22-6-4-5-21-25(22)28(38)34(27(21)37)23-8-7-18(3)31-26(23)36;1-16-5-6-21(24(35)31-16)34-25(36)19-3-2-4-20(23(19)27(34)38)29-11-17-12-30-33(14-17)18-7-9-32(10-8-18)26(37)22-13-28-15-39-22;1-17-7-8-22(25(36)30-17)34-26(37)20-5-4-6-21(24(20)27(34)38)28-13-18-14-29-33(15-18)19-9-11-32(12-10-19)23(35)16-31(2)3;1-16-7-8-21(23(35)31-16)34-24(36)19-5-4-6-20(22(19)25(34)37)29-13-17-14-30-33(15-17)18-9-11-32(12-10-18)26(38)27(2,3)28;1-16-6-7-21(24(34)29-16)32-25(35)19-4-3-5-20(23(19)26(32)36)27-12-17-13-28-31(14-17)18-8-10-30(11-9-18)22(33)15-37-2;1-15-6-7-21(23(33)28-15)31-24(34)19-4-3-5-20(22(19)25(31)35)26-12-17-13-27-30(14-17)18-8-10-29(11-9-18)16(2)32/h5-7,16-17,20,23,30H,1,8-15H2,2-4H3,(H,32,37);2-4,15-16,18,20,23,29H,1,5-14H2,(H,31,36);4-6,15-17,20,23,29H,3,7-14H2,1-2H3,(H,31,36);2-4,12-15,18,21,29H,1,5-11H2,(H,31,35);4-6,14-15,19,22,28H,1,7-13,16H2,2-3H3,(H,30,36);4-6,14-15,18,21,29H,1,7-13,28H2,2-3H3,(H,31,35);3-5,13-14,18,21,27H,1,6-12,15H2,2H3,(H,29,34);3-5,13-14,18,21,26H,1,6-12H2,2H3,(H,28,33)
InChIKeyACGXVOMSCVDPAZ-UHFFFAOYSA-N
XLogP18.93
TPSA997.64 Ų
H-Bond Donors17
H-Bond Acceptors61
Rotatable Bonds51
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004119.73
LogP ≤ 518.93
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1061

Analyze 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 157069679) is 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)(C)N)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CN(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)COC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cnco6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(C)=O)CC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is ACGXVOMSCVDPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O4.C28H32N6O4.C28H34N6O4.C27H27N7O5.2C27H33N7O4.C26H30N6O5.C25H28N6O4/c1-18-8-9-23(26(37)32-18)35-27(38)21-6-5-7-22(25(21)28(35)39)30-15-19-16-31-34(17-19)20-10-12-33(13-11-20)24(36)14-29(2,3)4;1-17-5-8-23(26(36)31-17)34-27(37)21-3-2-4-22(25(21)28(34)38)29-14-19-15-30-33(16-19)20-9-11-32(12-10-20)24(35)13-18-6-7-18;1-17(2)13-24(35)32-11-9-20(10-12-32)33-16-19(15-30-33)14-29-22-6-4-5-21-25(22)28(38)34(27(21)37)23-8-7-18(3)31-26(23)36;1-16-5-6-21(24(35)31-16)34-25(36)19-3-2-4-20(23(19)27(34)38)29-11-17-12-30-33(14-17)18-7-9-32(10-8-18)26(37)22-13-28-15-39-22;1-17-7-8-22(25(36)30-17)34-26(37)20-5-4-6-21(24(20)27(34)38)28-13-18-14-29-33(15-18)19-9-11-32(12-10-19)23(35)16-31(2)3;1-16-7-8-21(23(35)31-16)34-24(36)19-5-4-6-20(22(19)25(34)37)29-13-17-14-30-33(15-17)18-9-11-32(12-10-18)26(38)27(2,3)28;1-16-6-7-21(24(34)29-16)32-25(35)19-4-3-5-20(23(19)26(32)36)27-12-17-13-28-31(14-17)18-8-10-30(11-9-18)22(33)15-37-2;1-15-6-7-21(23(33)28-15)31-24(34)19-4-3-5-20(22(19)25(31)35)26-12-17-13-27-30(14-17)18-8-10-29(11-9-18)16(2)32/h5-7,16-17,20,23,30H,1,8-15H2,2-4H3,(H,32,37);2-4,15-16,18,20,23,29H,1,5-14H2,(H,31,36);4-6,15-17,20,23,29H,3,7-14H2,1-2H3,(H,31,36);2-4,12-15,18,21,29H,1,5-11H2,(H,31,35);4-6,14-15,19,22,28H,1,7-13,16H2,2-3H3,(H,30,36);4-6,14-15,18,21,29H,1,7-13,28H2,2-3H3,(H,31,35);3-5,13-14,18,21,27H,1,6-12,15H2,2H3,(H,29,34);3-5,13-14,18,21,26H,1,6-12H2,2H3,(H,28,33).
What are the key properties of 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 4119.73 g/mol, XLogP of 18.93, 51 rotatable bonds, 17 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 157069679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).