4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C204H220FN47O32 — CID 158957247

IUPAC4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CN6CCOCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)COC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccc(F)cc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccccc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cc(C7CC7)on6)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(=O)c6cnn(C)c6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C31H31FN6O4.C31H32N6O4.C30H31N7O5.C29H35N7O5.C28H30N8O4.C28H34N6O5.C27H27N7O5/c1-19-5-10-26(29(40)35-19)38-30(41)24-3-2-4-25(28(24)31(38)42)33-16-21-17-34-37(18-21)23-11-13-36(14-12-23)27(39)15-20-6-8-22(32)9-7-20;1-20-10-11-26(29(39)34-20)37-30(40)24-8-5-9-25(28(24)31(37)41)32-17-22-18-33-36(19-22)23-12-14-35(15-13-23)27(38)16-21-6-3-2-4-7-21;1-17-5-8-24(27(38)33-17)37-28(39)21-3-2-4-22(26(21)30(37)41)31-14-18-15-32-36(16-18)20-9-11-35(12-10-20)29(40)23-13-25(42-34-23)19-6-7-19;1-19-5-6-24(27(38)32-19)36-28(39)22-3-2-4-23(26(22)29(36)40)30-15-20-16-31-35(17-20)21-7-9-34(10-8-21)25(37)18-33-11-13-41-14-12-33;1-17-6-7-23(25(37)32-17)36-27(39)21-4-3-5-22(24(21)28(36)40)29-12-18-13-31-35(15-18)20-8-10-34(11-9-20)26(38)19-14-30-33(2)16-19;1-17(2)39-16-24(35)32-11-9-20(10-12-32)33-15-19(14-30-33)13-29-22-6-4-5-21-25(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/h2-4,6-9,17-18,23,26,33H,1,5,10-16H2,(H,35,40);2-9,18-19,23,26,32H,1,10-17H2,(H,34,39);2-4,13,15-16,19-20,24,31H,1,5-12,14H2,(H,33,38);2-4,16-17,21,24,30H,1,5-15,18H2,(H,32,38);3-5,13-16,20,23,29H,1,6-12H2,2H3,(H,32,37);4-6,14-15,17,20,23,29H,3,7-13,16H2,1-2H3,(H,31,36);2-4,12-15,18,21,29H,1,5-11H2,(H,31,35)
InChIKeyJMDUXAOTYJMZIR-UHFFFAOYSA-N
MW3861.30 g/mol
LogP18.24
Rot. Bonds48

About 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 158957247) has the molecular formula C204H220FN47O32 and a molecular weight of 3861.30 g/mol. Its IUPAC name is 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
PubChem CID158957247
Molecular FormulaC204H220FN47O32
Molecular Weight3861.30 g/mol
Exact Mass3858.70
IUPAC Name4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CN6CCOCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)COC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccc(F)cc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccccc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cc(C7CC7)on6)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(=O)c6cnn(C)c6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C31H31FN6O4.C31H32N6O4.C30H31N7O5.C29H35N7O5.C28H30N8O4.C28H34N6O5.C27H27N7O5/c1-19-5-10-26(29(40)35-19)38-30(41)24-3-2-4-25(28(24)31(38)42)33-16-21-17-34-37(18-21)23-11-13-36(14-12-23)27(39)15-20-6-8-22(32)9-7-20;1-20-10-11-26(29(39)34-20)37-30(40)24-8-5-9-25(28(24)31(37)41)32-17-22-18-33-36(19-22)23-12-14-35(15-13-23)27(38)16-21-6-3-2-4-7-21;1-17-5-8-24(27(38)33-17)37-28(39)21-3-2-4-22(26(21)30(37)41)31-14-18-15-32-36(16-18)20-9-11-35(12-10-20)29(40)23-13-25(42-34-23)19-6-7-19;1-19-5-6-24(27(38)32-19)36-28(39)22-3-2-4-23(26(22)29(36)40)30-15-20-16-31-35(17-20)21-7-9-34(10-8-21)25(37)18-33-11-13-41-14-12-33;1-17-6-7-23(25(37)32-17)36-27(39)21-4-3-5-22(24(21)28(36)40)29-12-18-13-31-35(15-18)20-8-10-34(11-9-20)26(38)19-14-30-33(2)16-19;1-17(2)39-16-24(35)32-11-9-20(10-12-32)33-15-19(14-30-33)13-29-22-6-4-5-21-25(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/h2-4,6-9,17-18,23,26,33H,1,5,10-16H2,(H,35,40);2-9,18-19,23,26,32H,1,10-17H2,(H,34,39);2-4,13,15-16,19-20,24,31H,1,5-12,14H2,(H,33,38);2-4,16-17,21,24,30H,1,5-15,18H2,(H,32,38);3-5,13-16,20,23,29H,1,6-12H2,2H3,(H,32,37);4-6,14-15,17,20,23,29H,3,7-13,16H2,1-2H3,(H,31,36);2-4,12-15,18,21,29H,1,5-11H2,(H,31,35)
InChIKeyJMDUXAOTYJMZIR-UHFFFAOYSA-N
XLogP18.24
TPSA908.06 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds48
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003861.30
LogP ≤ 518.24
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Analyze 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)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-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 158957247) is 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CN6CCOCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)COC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccc(F)cc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccccc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cc(C7CC7)on6)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(=O)c6cnn(C)c6)CC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is JMDUXAOTYJMZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN6O4.C31H32N6O4.C30H31N7O5.C29H35N7O5.C28H30N8O4.C28H34N6O5.C27H27N7O5/c1-19-5-10-26(29(40)35-19)38-30(41)24-3-2-4-25(28(24)31(38)42)33-16-21-17-34-37(18-21)23-11-13-36(14-12-23)27(39)15-20-6-8-22(32)9-7-20;1-20-10-11-26(29(39)34-20)37-30(40)24-8-5-9-25(28(24)31(37)41)32-17-22-18-33-36(19-22)23-12-14-35(15-13-23)27(38)16-21-6-3-2-4-7-21;1-17-5-8-24(27(38)33-17)37-28(39)21-3-2-4-22(26(21)30(37)41)31-14-18-15-32-36(16-18)20-9-11-35(12-10-20)29(40)23-13-25(42-34-23)19-6-7-19;1-19-5-6-24(27(38)32-19)36-28(39)22-3-2-4-23(26(22)29(36)40)30-15-20-16-31-35(17-20)21-7-9-34(10-8-21)25(37)18-33-11-13-41-14-12-33;1-17-6-7-23(25(37)32-17)36-27(39)21-4-3-5-22(24(21)28(36)40)29-12-18-13-31-35(15-18)20-8-10-34(11-9-20)26(38)19-14-30-33(2)16-19;1-17(2)39-16-24(35)32-11-9-20(10-12-32)33-15-19(14-30-33)13-29-22-6-4-5-21-25(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/h2-4,6-9,17-18,23,26,33H,1,5,10-16H2,(H,35,40);2-9,18-19,23,26,32H,1,10-17H2,(H,34,39);2-4,13,15-16,19-20,24,31H,1,5-12,14H2,(H,33,38);2-4,16-17,21,24,30H,1,5-15,18H2,(H,32,38);3-5,13-16,20,23,29H,1,6-12H2,2H3,(H,32,37);4-6,14-15,17,20,23,29H,3,7-13,16H2,1-2H3,(H,31,36);2-4,12-15,18,21,29H,1,5-11H2,(H,31,35).
What are the key properties of 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 3861.30 g/mol, XLogP of 18.24, 48 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-(4-fluorophenyl)acetyl]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-methylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]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;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-phenylacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 158957247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).