4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C182H203F9N42O22 — CID 158752867

IUPAC4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CC(F)(F)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6COC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(C)(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(F)(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(c6ccccc6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C29H30N6O3.C27H30F2N6O3.C26H30F2N6O3.C26H30N6O4.C25H27F3N6O3.C25H28F2N6O3.C24H28N6O3/c1-19-10-11-25(27(36)32-19)35-28(37)23-8-5-9-24(26(23)29(35)38)30-16-20-17-31-34(18-20)22-12-14-33(15-13-22)21-6-3-2-4-7-21;1-16-5-6-22(24(36)32-16)35-25(37)20-3-2-4-21(23(20)26(35)38)30-13-17-14-31-34(15-17)18-7-9-33(10-8-18)19-11-27(28,29)12-19;1-16-6-7-21(23(35)31-16)34-24(36)19-4-3-5-20(22(19)25(34)37)29-12-17-13-30-33(14-17)18-8-10-32(11-9-18)15-26(2,27)28;1-16-5-6-22(24(33)29-16)32-25(34)20-3-2-4-21(23(20)26(32)35)27-11-17-12-28-31(13-17)18-7-9-30(10-8-18)19-14-36-15-19;1-15-5-6-20(22(35)31-15)34-23(36)18-3-2-4-19(21(18)24(34)37)29-11-16-12-30-33(13-16)17-7-9-32(10-8-17)14-25(26,27)28;1-15-5-6-20(23(34)30-15)33-24(35)18-3-2-4-19(22(18)25(33)36)28-11-16-12-29-32(13-16)17-7-9-31(10-8-17)14-21(26)27;1-15-6-7-20(22(31)27-15)30-23(32)18-4-3-5-19(21(18)24(30)33)25-12-16-13-26-29(14-16)17-8-10-28(2)11-9-17/h2-9,17-18,22,25,30H,1,10-16H2,(H,32,36);2-4,14-15,18-19,22,30H,1,5-13H2,(H,32,36);3-5,13-14,18,21,29H,1,6-12,15H2,2H3,(H,31,35);2-4,12-13,18-19,22,27H,1,5-11,14-15H2,(H,29,33);2-4,12-13,17,20,29H,1,5-11,14H2,(H,31,35);2-4,12-13,17,20-21,28H,1,5-11,14H2,(H,30,34);3-5,13-14,17,20,25H,1,6-12H2,2H3,(H,27,31)
InChIKeyINRUHZACUWXXKB-UHFFFAOYSA-N
MW3501.88 g/mol
LogP20.16
Rot. Bonds43

About 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 158752867) has the molecular formula C182H203F9N42O22 and a molecular weight of 3501.88 g/mol. Its IUPAC name is 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
PubChem CID158752867
Molecular FormulaC182H203F9N42O22
Molecular Weight3501.88 g/mol
Exact Mass3499.59
IUPAC Name4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CC(F)(F)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6COC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(C)(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(F)(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(c6ccccc6)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C29H30N6O3.C27H30F2N6O3.C26H30F2N6O3.C26H30N6O4.C25H27F3N6O3.C25H28F2N6O3.C24H28N6O3/c1-19-10-11-25(27(36)32-19)35-28(37)23-8-5-9-24(26(23)29(35)38)30-16-20-17-31-34(18-20)22-12-14-33(15-13-22)21-6-3-2-4-7-21;1-16-5-6-22(24(36)32-16)35-25(37)20-3-2-4-21(23(20)26(35)38)30-13-17-14-31-34(15-17)18-7-9-33(10-8-18)19-11-27(28,29)12-19;1-16-6-7-21(23(35)31-16)34-24(36)19-4-3-5-20(22(19)25(34)37)29-12-17-13-30-33(14-17)18-8-10-32(11-9-18)15-26(2,27)28;1-16-5-6-22(24(33)29-16)32-25(34)20-3-2-4-21(23(20)26(32)35)27-11-17-12-28-31(13-17)18-7-9-30(10-8-18)19-14-36-15-19;1-15-5-6-20(22(35)31-15)34-23(36)18-3-2-4-19(21(18)24(34)37)29-11-16-12-30-33(13-16)17-7-9-32(10-8-17)14-25(26,27)28;1-15-5-6-20(23(34)30-15)33-24(35)18-3-2-4-19(22(18)25(33)36)28-11-16-12-29-32(13-16)17-7-9-31(10-8-17)14-21(26)27;1-15-6-7-20(22(31)27-15)30-23(32)18-4-3-5-19(21(18)24(30)33)25-12-16-13-26-29(14-16)17-8-10-28(2)11-9-17/h2-9,17-18,22,25,30H,1,10-16H2,(H,32,36);2-4,14-15,18-19,22,30H,1,5-13H2,(H,32,36);3-5,13-14,18,21,29H,1,6-12,15H2,2H3,(H,31,35);2-4,12-13,18-19,22,27H,1,5-11,14-15H2,(H,29,33);2-4,12-13,17,20,29H,1,5-11,14H2,(H,31,35);2-4,12-13,17,20-21,28H,1,5-11,14H2,(H,30,34);3-5,13-14,17,20,25H,1,6-12H2,2H3,(H,27,31)
InChIKeyINRUHZACUWXXKB-UHFFFAOYSA-N
XLogP20.16
TPSA706.22 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds43
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003501.88
LogP ≤ 520.16
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 158752867) is 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6CC(F)(F)C6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C6COC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(C)(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(F)(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(CC(F)F)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(c6ccccc6)CC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is INRUHZACUWXXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3.C27H30F2N6O3.C26H30F2N6O3.C26H30N6O4.C25H27F3N6O3.C25H28F2N6O3.C24H28N6O3/c1-19-10-11-25(27(36)32-19)35-28(37)23-8-5-9-24(26(23)29(35)38)30-16-20-17-31-34(18-20)22-12-14-33(15-13-22)21-6-3-2-4-7-21;1-16-5-6-22(24(36)32-16)35-25(37)20-3-2-4-21(23(20)26(35)38)30-13-17-14-31-34(15-17)18-7-9-33(10-8-18)19-11-27(28,29)12-19;1-16-6-7-21(23(35)31-16)34-24(36)19-4-3-5-20(22(19)25(34)37)29-12-17-13-30-33(14-17)18-8-10-32(11-9-18)15-26(2,27)28;1-16-5-6-22(24(33)29-16)32-25(34)20-3-2-4-21(23(20)26(32)35)27-11-17-12-28-31(13-17)18-7-9-30(10-8-18)19-14-36-15-19;1-15-5-6-20(22(35)31-15)34-23(36)18-3-2-4-19(21(18)24(34)37)29-11-16-12-30-33(13-16)17-7-9-32(10-8-17)14-25(26,27)28;1-15-5-6-20(23(34)30-15)33-24(35)18-3-2-4-19(22(18)25(33)36)28-11-16-12-29-32(13-16)17-7-9-31(10-8-17)14-21(26)27;1-15-6-7-20(22(31)27-15)30-23(32)18-4-3-5-19(21(18)24(30)33)25-12-16-13-26-29(14-16)17-8-10-28(2)11-9-17/h2-9,17-18,22,25,30H,1,10-16H2,(H,32,36);2-4,14-15,18-19,22,30H,1,5-13H2,(H,32,36);3-5,13-14,18,21,29H,1,6-12,15H2,2H3,(H,31,35);2-4,12-13,18-19,22,27H,1,5-11,14-15H2,(H,29,33);2-4,12-13,17,20,29H,1,5-11,14H2,(H,31,35);2-4,12-13,17,20-21,28H,1,5-11,14H2,(H,30,34);3-5,13-14,17,20,25H,1,6-12H2,2H3,(H,27,31).
What are the key properties of 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 3501.88 g/mol, XLogP of 20.16, 43 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)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-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 158752867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).