tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate

C251H288F2N54O45 — CID 162044430

IUPACtert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CC(F)(F)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCCCC6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C30H36N6O5.C29H34N6O5.C28H30F2N6O5.3C28H32N6O5.C28H34N6O5.C27H30N6O5.C25H28N6O5/c1-19-10-11-25(27(37)33-19)36-28(38)23-8-5-9-24(26(23)29(36)39)31-16-20-17-32-35(18-20)21-12-14-34(15-13-21)30(40)41-22-6-3-2-4-7-22;1-18-9-10-24(26(36)32-18)35-27(37)22-7-4-8-23(25(22)28(35)38)30-15-19-16-31-34(17-19)20-11-13-33(14-12-20)29(39)40-21-5-2-3-6-21;1-16-5-6-22(24(37)33-16)36-25(38)20-3-2-4-21(23(20)26(36)39)31-13-17-14-32-35(15-17)18-7-9-34(10-8-18)27(40)41-19-11-28(29,30)12-19;2*1-17-6-7-22(24(35)31-17)34-25(36)20-4-3-5-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-8-12-32(13-9-19)27(38)39-28(2)10-11-28;1-17-8-9-23(25(35)31-17)34-26(36)21-6-3-7-22(24(21)27(34)37)29-14-18-15-30-33(16-18)19-10-12-32(13-11-19)28(38)39-20-4-2-5-20;1-17-8-9-22(24(35)31-17)34-25(36)20-6-5-7-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-10-12-32(13-11-19)27(38)39-28(2,3)4;1-16-5-8-22(24(34)30-16)33-25(35)20-3-2-4-21(23(20)26(33)36)28-13-17-14-29-32(15-17)18-9-11-31(12-10-18)27(37)38-19-6-7-19;1-15-6-7-20(22(32)28-15)31-23(33)18-4-3-5-19(21(18)24(31)34)26-12-16-13-27-30(14-16)17-8-10-29(11-9-17)25(35)36-2/h5,8-9,17-18,21-22,25,31H,1-4,6-7,10-16H2,(H,33,37);4,7-8,16-17,20-21,24,30H,1-3,5-6,9-15H2,(H,32,36);2-4,14-15,18-19,22,31H,1,5-13H2,(H,33,37);2*3-5,15-16,19,22,29H,1,6-14H2,2H3,(H,31,35);3,6-7,15-16,19-20,23,29H,1-2,4-5,8-14H2,(H,31,35);5-7,15-16,19,22,29H,1,8-14H2,2-4H3,(H,31,35);2-4,14-15,18-19,22,28H,1,5-13H2,(H,30,34);3-5,13-14,17,20,26H,1,6-12H2,2H3,(H,28,32)
InChIKeyYXRXJQMAISDUIC-UHFFFAOYSA-N
MW4819.39 g/mol
LogP29.23
Rot. Bonds52

About tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 162044430) has the molecular formula C251H288F2N54O45 and a molecular weight of 4819.39 g/mol. Its IUPAC name is tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID162044430
Molecular FormulaC251H288F2N54O45
Molecular Weight4819.39 g/mol
Exact Mass4816.19
IUPAC Nametert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CC(F)(F)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCCCC6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C30H36N6O5.C29H34N6O5.C28H30F2N6O5.3C28H32N6O5.C28H34N6O5.C27H30N6O5.C25H28N6O5/c1-19-10-11-25(27(37)33-19)36-28(38)23-8-5-9-24(26(23)29(36)39)31-16-20-17-32-35(18-20)21-12-14-34(15-13-21)30(40)41-22-6-3-2-4-7-22;1-18-9-10-24(26(36)32-18)35-27(37)22-7-4-8-23(25(22)28(35)38)30-15-19-16-31-34(17-19)20-11-13-33(14-12-20)29(39)40-21-5-2-3-6-21;1-16-5-6-22(24(37)33-16)36-25(38)20-3-2-4-21(23(20)26(36)39)31-13-17-14-32-35(15-17)18-7-9-34(10-8-18)27(40)41-19-11-28(29,30)12-19;2*1-17-6-7-22(24(35)31-17)34-25(36)20-4-3-5-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-8-12-32(13-9-19)27(38)39-28(2)10-11-28;1-17-8-9-23(25(35)31-17)34-26(36)21-6-3-7-22(24(21)27(34)37)29-14-18-15-30-33(16-18)19-10-12-32(13-11-19)28(38)39-20-4-2-5-20;1-17-8-9-22(24(35)31-17)34-25(36)20-6-5-7-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-10-12-32(13-11-19)27(38)39-28(2,3)4;1-16-5-8-22(24(34)30-16)33-25(35)20-3-2-4-21(23(20)26(33)36)28-13-17-14-29-32(15-17)18-9-11-31(12-10-18)27(37)38-19-6-7-19;1-15-6-7-20(22(32)28-15)31-23(33)18-4-3-5-19(21(18)24(31)34)26-12-16-13-27-30(14-16)17-8-10-29(11-9-17)25(35)36-2/h5,8-9,17-18,21-22,25,31H,1-4,6-7,10-16H2,(H,33,37);4,7-8,16-17,20-21,24,30H,1-3,5-6,9-15H2,(H,32,36);2-4,14-15,18-19,22,31H,1,5-13H2,(H,33,37);2*3-5,15-16,19,22,29H,1,6-14H2,2H3,(H,31,35);3,6-7,15-16,19-20,23,29H,1-2,4-5,8-14H2,(H,31,35);5-7,15-16,19,22,29H,1,8-14H2,2-4H3,(H,31,35);2-4,14-15,18-19,22,28H,1,5-13H2,(H,30,34);3-5,13-14,17,20,26H,1,6-12H2,2H3,(H,28,32)
InChIKeyYXRXJQMAISDUIC-UHFFFAOYSA-N
XLogP29.23
TPSA1132.83 Ų
H-Bond Donors18
H-Bond Acceptors72
Rotatable Bonds52
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004819.39
LogP ≤ 529.23
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1072

Analyze tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate with MolForge

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What is the IUPAC name of tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate (CID 162044430) is tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6(C)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CC(F)(F)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)OC6CCCCC6)CC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is YXRXJQMAISDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O5.C29H34N6O5.C28H30F2N6O5.3C28H32N6O5.C28H34N6O5.C27H30N6O5.C25H28N6O5/c1-19-10-11-25(27(37)33-19)36-28(38)23-8-5-9-24(26(23)29(36)39)31-16-20-17-32-35(18-20)21-12-14-34(15-13-21)30(40)41-22-6-3-2-4-7-22;1-18-9-10-24(26(36)32-18)35-27(37)22-7-4-8-23(25(22)28(35)38)30-15-19-16-31-34(17-19)20-11-13-33(14-12-20)29(39)40-21-5-2-3-6-21;1-16-5-6-22(24(37)33-16)36-25(38)20-3-2-4-21(23(20)26(36)39)31-13-17-14-32-35(15-17)18-7-9-34(10-8-18)27(40)41-19-11-28(29,30)12-19;2*1-17-6-7-22(24(35)31-17)34-25(36)20-4-3-5-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-8-12-32(13-9-19)27(38)39-28(2)10-11-28;1-17-8-9-23(25(35)31-17)34-26(36)21-6-3-7-22(24(21)27(34)37)29-14-18-15-30-33(16-18)19-10-12-32(13-11-19)28(38)39-20-4-2-5-20;1-17-8-9-22(24(35)31-17)34-25(36)20-6-5-7-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-10-12-32(13-11-19)27(38)39-28(2,3)4;1-16-5-8-22(24(34)30-16)33-25(35)20-3-2-4-21(23(20)26(33)36)28-13-17-14-29-32(15-17)18-9-11-31(12-10-18)27(37)38-19-6-7-19;1-15-6-7-20(22(32)28-15)31-23(33)18-4-3-5-19(21(18)24(31)34)26-12-16-13-27-30(14-16)17-8-10-29(11-9-17)25(35)36-2/h5,8-9,17-18,21-22,25,31H,1-4,6-7,10-16H2,(H,33,37);4,7-8,16-17,20-21,24,30H,1-3,5-6,9-15H2,(H,32,36);2-4,14-15,18-19,22,31H,1,5-13H2,(H,33,37);2*3-5,15-16,19,22,29H,1,6-14H2,2H3,(H,31,35);3,6-7,15-16,19-20,23,29H,1-2,4-5,8-14H2,(H,31,35);5-7,15-16,19,22,29H,1,8-14H2,2-4H3,(H,31,35);2-4,14-15,18-19,22,28H,1,5-13H2,(H,30,34);3-5,13-14,17,20,26H,1,6-12H2,2H3,(H,28,32).
What are the key properties of tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 4819.39 g/mol, XLogP of 29.23, 52 rotatable bonds, 18 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclobutyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclohexyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;(3,3-difluorocyclobutyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;bis((1-methylcyclopropyl) 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate);methyl 4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162044430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).