4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione

C207H236N48O35 — CID 161478317

IUPAC4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCN(C(C)=O)C5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CO)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)[C@@H](C)O)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)[C@H](C)O)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/C27H30N6O4.C27H32N6O4.2C26H30N6O5.C26H30N6O4.C25H28N6O5.2C25H28N6O4/c1-16-5-8-22(24(34)30-16)33-26(36)20-3-2-4-21(23(20)27(33)37)28-13-17-14-29-32(15-17)19-9-11-31(12-10-19)25(35)18-6-7-18;1-16(2)25(35)31-11-9-19(10-12-31)32-15-18(14-29-32)13-28-21-6-4-5-20-23(21)27(37)33(26(20)36)22-8-7-17(3)30-24(22)34;2*1-15-6-7-21(23(34)29-15)32-25(36)19-4-3-5-20(22(19)26(32)37)27-12-17-13-28-31(14-17)18-8-10-30(11-9-18)24(35)16(2)33;1-3-22(33)30-11-9-18(10-12-30)31-15-17(14-28-31)13-27-20-6-4-5-19-23(20)26(36)32(25(19)35)21-8-7-16(2)29-24(21)34;1-15-5-6-20(23(34)28-15)31-24(35)18-3-2-4-19(22(18)25(31)36)26-11-16-12-27-30(13-16)17-7-9-29(10-8-17)21(33)14-32;1-15-8-9-21(23(33)28-15)31-24(34)19-6-3-7-20(22(19)25(31)35)26-11-17-12-27-30(13-17)18-5-4-10-29(14-18)16(2)32;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/h2-4,14-15,18-19,22,28H,1,5-13H2,(H,30,34);4-6,14-16,19,22,28H,3,7-13H2,1-2H3,(H,30,34);2*3-5,13-14,16,18,21,27,33H,1,6-12H2,2H3,(H,29,34);4-6,14-15,18,21,27H,2-3,7-13H2,1H3,(H,29,34);2-4,12-13,17,20,26,32H,1,5-11,14H2,(H,28,34);3,6-7,12-13,18,21,26H,1,4-5,8-11,14H2,2H3,(H,28,33);3-5,13-14,18,21,26H,1,6-12H2,2H3,(H,28,33)/t;;2*16-,21?;;;;/m..10..../s1
InChIKeyWDZYPAOLOIZEAE-QSVIJMIJSA-N
MW3956.47 g/mol
LogP15.65
Rot. Bonds46

About 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 161478317) has the molecular formula C207H236N48O35 and a molecular weight of 3956.47 g/mol. Its IUPAC name is 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
PubChem CID161478317
Molecular FormulaC207H236N48O35
Molecular Weight3956.47 g/mol
Exact Mass3953.82
IUPAC Name4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCN(C(C)=O)C5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CO)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)[C@@H](C)O)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)[C@H](C)O)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/C27H30N6O4.C27H32N6O4.2C26H30N6O5.C26H30N6O4.C25H28N6O5.2C25H28N6O4/c1-16-5-8-22(24(34)30-16)33-26(36)20-3-2-4-21(23(20)27(33)37)28-13-17-14-29-32(15-17)19-9-11-31(12-10-19)25(35)18-6-7-18;1-16(2)25(35)31-11-9-19(10-12-31)32-15-18(14-29-32)13-28-21-6-4-5-20-23(21)27(37)33(26(20)36)22-8-7-17(3)30-24(22)34;2*1-15-6-7-21(23(34)29-15)32-25(36)19-4-3-5-20(22(19)26(32)37)27-12-17-13-28-31(14-17)18-8-10-30(11-9-18)24(35)16(2)33;1-3-22(33)30-11-9-18(10-12-30)31-15-17(14-28-31)13-27-20-6-4-5-19-23(20)26(36)32(25(19)35)21-8-7-16(2)29-24(21)34;1-15-5-6-20(23(34)28-15)31-24(35)18-3-2-4-19(22(18)25(31)36)26-11-16-12-27-30(13-16)17-7-9-29(10-8-17)21(33)14-32;1-15-8-9-21(23(33)28-15)31-24(34)19-6-3-7-20(22(19)25(31)35)26-11-17-12-27-30(13-17)18-5-4-10-29(14-18)16(2)32;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/h2-4,14-15,18-19,22,28H,1,5-13H2,(H,30,34);4-6,14-16,19,22,28H,3,7-13H2,1-2H3,(H,30,34);2*3-5,13-14,16,18,21,27,33H,1,6-12H2,2H3,(H,29,34);4-6,14-15,18,21,27H,2-3,7-13H2,1H3,(H,29,34);2-4,12-13,17,20,26,32H,1,5-11,14H2,(H,28,34);3,6-7,12-13,18,21,26H,1,4-5,8-11,14H2,2H3,(H,28,33);3-5,13-14,18,21,26H,1,6-12H2,2H3,(H,28,33)/t;;2*16-,21?;;;;/m..10..../s1
InChIKeyWDZYPAOLOIZEAE-QSVIJMIJSA-N
XLogP15.65
TPSA993.81 Ų
H-Bond Donors19
H-Bond Acceptors59
Rotatable Bonds46
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003956.47
LogP ≤ 515.65
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1059

Analyze 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-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-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 161478317) is 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCN(C(C)=O)C5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CO)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)[C@@H](C)O)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)[C@H](C)O)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-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is WDZYPAOLOIZEAE-QSVIJMIJSA-N. The full InChI is InChI=1S/C27H30N6O4.C27H32N6O4.2C26H30N6O5.C26H30N6O4.C25H28N6O5.2C25H28N6O4/c1-16-5-8-22(24(34)30-16)33-26(36)20-3-2-4-21(23(20)27(33)37)28-13-17-14-29-32(15-17)19-9-11-31(12-10-19)25(35)18-6-7-18;1-16(2)25(35)31-11-9-19(10-12-31)32-15-18(14-29-32)13-28-21-6-4-5-20-23(21)27(37)33(26(20)36)22-8-7-17(3)30-24(22)34;2*1-15-6-7-21(23(34)29-15)32-25(36)19-4-3-5-20(22(19)26(32)37)27-12-17-13-28-31(14-17)18-8-10-30(11-9-18)24(35)16(2)33;1-3-22(33)30-11-9-18(10-12-30)31-15-17(14-28-31)13-27-20-6-4-5-19-23(20)26(36)32(25(19)35)21-8-7-16(2)29-24(21)34;1-15-5-6-20(23(34)28-15)31-24(35)18-3-2-4-19(22(18)25(31)36)26-11-16-12-27-30(13-16)17-7-9-29(10-8-17)21(33)14-32;1-15-8-9-21(23(33)28-15)31-24(34)19-6-3-7-20(22(19)25(31)35)26-11-17-12-27-30(13-17)18-5-4-10-29(14-18)16(2)32;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/h2-4,14-15,18-19,22,28H,1,5-13H2,(H,30,34);4-6,14-16,19,22,28H,3,7-13H2,1-2H3,(H,30,34);2*3-5,13-14,16,18,21,27,33H,1,6-12H2,2H3,(H,29,34);4-6,14-15,18,21,27H,2-3,7-13H2,1H3,(H,29,34);2-4,12-13,17,20,26,32H,1,5-11,14H2,(H,28,34);3,6-7,12-13,18,21,26H,1,4-5,8-11,14H2,2H3,(H,28,33);3-5,13-14,18,21,26H,1,6-12H2,2H3,(H,28,33)/t;;2*16-,21?;;;;/m..10..../s1.
What are the key properties of 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 3956.47 g/mol, XLogP of 15.65, 46 rotatable bonds, 19 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)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-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[(2R)-2-hydroxypropanoyl]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-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-propanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 161478317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).