4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C146H161FN30O22 — CID 158734488

IUPAC4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C)(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(CO6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(F)(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(O)(C6)C7)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C30H34N6O4.C29H31FN6O4.2C29H32N6O5.C29H32N6O4/c1-18-6-7-23(25(37)33-18)36-26(38)21-4-3-5-22(24(21)27(36)39)31-12-19-13-32-35(14-19)20-8-10-34(11-9-20)28(40)30-15-29(2,16-30)17-30;1-17-5-6-22(24(37)33-17)36-25(38)20-3-2-4-21(23(20)26(36)39)31-11-18-12-32-35(13-18)19-7-9-34(10-8-19)27(40)28-14-29(30,15-28)16-28;1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-13-19-14-31-34(15-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)16-40-29;1-17-5-6-22(24(36)32-17)35-25(37)20-3-2-4-21(23(20)26(35)38)30-11-18-12-31-34(13-18)19-7-9-33(10-8-19)27(39)28-14-29(40,15-28)16-28;1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-14-19-15-31-34(16-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)13-29/h3-5,13-14,20,23,31H,1,6-12,15-17H2,2H3,(H,33,37);2-4,12-13,19,22,31H,1,5-11,14-16H2,(H,33,37);2-4,14-15,18,20,23,30H,1,5-13,16H2,(H,32,36);2-4,12-13,19,22,30,40H,1,5-11,14-16H2,(H,32,36);2-4,15-16,18,20,23,30H,1,5-14H2,(H,32,36)
InChIKeyILMVHTXITDBYBU-UHFFFAOYSA-N
MW2707.08 g/mol
LogP13.21
Rot. Bonds30

About 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 158734488) has the molecular formula C146H161FN30O22 and a molecular weight of 2707.08 g/mol. Its IUPAC name is 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
PubChem CID158734488
Molecular FormulaC146H161FN30O22
Molecular Weight2707.08 g/mol
Exact Mass2705.24
IUPAC Name4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C)(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(CO6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(F)(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(O)(C6)C7)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C30H34N6O4.C29H31FN6O4.2C29H32N6O5.C29H32N6O4/c1-18-6-7-23(25(37)33-18)36-26(38)21-4-3-5-22(24(21)27(36)39)31-12-19-13-32-35(14-19)20-8-10-34(11-9-20)28(40)30-15-29(2,16-30)17-30;1-17-5-6-22(24(37)33-17)36-25(38)20-3-2-4-21(23(20)26(36)39)31-11-18-12-32-35(13-18)19-7-9-34(10-8-19)27(40)28-14-29(30,15-28)16-28;1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-13-19-14-31-34(15-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)16-40-29;1-17-5-6-22(24(36)32-17)35-25(37)20-3-2-4-21(23(20)26(35)38)30-11-18-12-31-34(13-18)19-7-9-33(10-8-19)27(39)28-14-29(40,15-28)16-28;1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-14-19-15-31-34(16-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)13-29/h3-5,13-14,20,23,31H,1,6-12,15-17H2,2H3,(H,33,37);2-4,12-13,19,22,31H,1,5-11,14-16H2,(H,33,37);2-4,14-15,18,20,23,30H,1,5-13,16H2,(H,32,36);2-4,12-13,19,22,30,40H,1,5-11,14-16H2,(H,32,36);2-4,15-16,18,20,23,30H,1,5-14H2,(H,32,36)
InChIKeyILMVHTXITDBYBU-UHFFFAOYSA-N
XLogP13.21
TPSA612.66 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002707.08
LogP ≤ 513.21
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 158734488) is 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C)(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(CO6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(F)(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(O)(C6)C7)CC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is ILMVHTXITDBYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O4.C29H31FN6O4.2C29H32N6O5.C29H32N6O4/c1-18-6-7-23(25(37)33-18)36-26(38)21-4-3-5-22(24(21)27(36)39)31-12-19-13-32-35(14-19)20-8-10-34(11-9-20)28(40)30-15-29(2,16-30)17-30;1-17-5-6-22(24(37)33-17)36-25(38)20-3-2-4-21(23(20)26(36)39)31-11-18-12-32-35(13-18)19-7-9-34(10-8-19)27(40)28-14-29(30,15-28)16-28;1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-13-19-14-31-34(15-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)16-40-29;1-17-5-6-22(24(36)32-17)35-25(37)20-3-2-4-21(23(20)26(35)38)30-11-18-12-31-34(13-18)19-7-9-33(10-8-19)27(39)28-14-29(40,15-28)16-28;1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-14-19-15-31-34(16-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)13-29/h3-5,13-14,20,23,31H,1,6-12,15-17H2,2H3,(H,33,37);2-4,12-13,19,22,31H,1,5-11,14-16H2,(H,33,37);2-4,14-15,18,20,23,30H,1,5-13,16H2,(H,32,36);2-4,12-13,19,22,30,40H,1,5-11,14-16H2,(H,32,36);2-4,15-16,18,20,23,30H,1,5-14H2,(H,32,36).
What are the key properties of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2707.08 g/mol, XLogP of 13.21, 30 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbicyclo[1.1.1]pentane-1-carbonyl)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-oxabicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 158734488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).