4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C160H170N30O20 — CID 161365154

IUPAC4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5(C)CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CCC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6C7(CC7)C67CC7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@H]5CCN(C(=O)C67C8C9C%10C8C6C%10C97)C(C)(C)C5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C34H36N6O4.C33H34N6O4.C32H32N6O4.C31H34N6O4.C30H34N6O4/c1-15-7-8-20(29(41)37-15)40-30(42)18-5-4-6-19(21(18)31(40)43)35-12-16-13-36-39(14-16)17-9-10-38(33(2,3)11-17)32(44)34-26-23-22-24(26)28(34)25(22)27(23)34;1-15-6-7-19(28(40)36-15)39-29(41)17-4-3-5-18(20(17)30(39)42)34-12-16-13-35-38(14-16)32(2)8-10-37(11-9-32)31(43)33-25-22-21-23(25)27(33)24(21)26(22)33;1-14-5-6-19(28(39)35-14)38-29(40)17-3-2-4-18(20(17)30(38)41)33-11-15-12-34-37(13-15)16-7-9-36(10-8-16)31(42)32-25-22-21-23(25)27(32)24(21)26(22)32;1-18-5-6-23(26(38)34-18)37-27(39)21-3-2-4-22(24(21)28(37)40)32-15-19-16-33-36(17-19)20-7-13-35(14-8-20)29(41)25-30(9-10-30)31(25)11-12-31;1-18-5-6-24(26(37)33-18)36-27(38)22-3-2-4-23(25(22)28(36)39)31-15-20-16-32-35(17-20)21-8-11-34(12-9-21)29(40)30-10-7-19(13-30)14-30/h4-6,13-14,17,20,22-28,35H,1,7-12H2,2-3H3,(H,37,41);3-5,13-14,19,21-27,34H,1,6-12H2,2H3,(H,36,40);2-4,12-13,16,19,21-27,33H,1,5-11H2,(H,35,39);2-4,16-17,20,23,25,32H,1,5-15H2,(H,34,38);2-4,16-17,19,21,24,31H,1,5-15H2,(H,33,37)/t17-,20?,22?,23?,24?,25?,26?,27?,28?,34?;;;;/m0..../s1
InChIKeyVPSFYZVCEPNYNI-CFDSXGJLSA-N
MW2833.31 g/mol
LogP14.67
Rot. Bonds30

About 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 161365154) has the molecular formula C160H170N30O20 and a molecular weight of 2833.31 g/mol. Its IUPAC name is 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID161365154
Molecular FormulaC160H170N30O20
Molecular Weight2833.31 g/mol
Exact Mass2831.32
IUPAC Name4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5(C)CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CCC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6C7(CC7)C67CC7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@H]5CCN(C(=O)C67C8C9C%10C8C6C%10C97)C(C)(C)C5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C34H36N6O4.C33H34N6O4.C32H32N6O4.C31H34N6O4.C30H34N6O4/c1-15-7-8-20(29(41)37-15)40-30(42)18-5-4-6-19(21(18)31(40)43)35-12-16-13-36-39(14-16)17-9-10-38(33(2,3)11-17)32(44)34-26-23-22-24(26)28(34)25(22)27(23)34;1-15-6-7-19(28(40)36-15)39-29(41)17-4-3-5-18(20(17)30(39)42)34-12-16-13-35-38(14-16)32(2)8-10-37(11-9-32)31(43)33-25-22-21-23(25)27(33)24(21)26(22)33;1-14-5-6-19(28(39)35-14)38-29(40)17-3-2-4-18(20(17)30(38)41)33-11-15-12-34-37(13-15)16-7-9-36(10-8-16)31(42)32-25-22-21-23(25)27(32)24(21)26(22)32;1-18-5-6-23(26(38)34-18)37-27(39)21-3-2-4-22(24(21)28(37)40)32-15-19-16-33-36(17-19)20-7-13-35(14-8-20)29(41)25-30(9-10-30)31(25)11-12-31;1-18-5-6-24(26(37)33-18)36-27(38)22-3-2-4-23(25(22)28(36)39)31-15-20-16-32-35(17-20)21-8-11-34(12-9-21)29(40)30-10-7-19(13-30)14-30/h4-6,13-14,17,20,22-28,35H,1,7-12H2,2-3H3,(H,37,41);3-5,13-14,19,21-27,34H,1,6-12H2,2H3,(H,36,40);2-4,12-13,16,19,21-27,33H,1,5-11H2,(H,35,39);2-4,16-17,20,23,25,32H,1,5-15H2,(H,34,38);2-4,16-17,19,21,24,31H,1,5-15H2,(H,33,37)/t17-,20?,22?,23?,24?,25?,26?,27?,28?,34?;;;;/m0..../s1
InChIKeyVPSFYZVCEPNYNI-CFDSXGJLSA-N
XLogP14.67
TPSA583.20 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002833.31
LogP ≤ 514.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 161365154) is 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5(C)CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67C8C9C%10C8C6C%10C97)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CCC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6C7(CC7)C67CC7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@H]5CCN(C(=O)C67C8C9C%10C8C6C%10C97)C(C)(C)C5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is VPSFYZVCEPNYNI-CFDSXGJLSA-N. The full InChI is InChI=1S/C34H36N6O4.C33H34N6O4.C32H32N6O4.C31H34N6O4.C30H34N6O4/c1-15-7-8-20(29(41)37-15)40-30(42)18-5-4-6-19(21(18)31(40)43)35-12-16-13-36-39(14-16)17-9-10-38(33(2,3)11-17)32(44)34-26-23-22-24(26)28(34)25(22)27(23)34;1-15-6-7-19(28(40)36-15)39-29(41)17-4-3-5-18(20(17)30(39)42)34-12-16-13-35-38(14-16)32(2)8-10-37(11-9-32)31(43)33-25-22-21-23(25)27(33)24(21)26(22)33;1-14-5-6-19(28(39)35-14)38-29(40)17-3-2-4-18(20(17)30(38)41)33-11-15-12-34-37(13-15)16-7-9-36(10-8-16)31(42)32-25-22-21-23(25)27(32)24(21)26(22)32;1-18-5-6-23(26(38)34-18)37-27(39)21-3-2-4-22(24(21)28(37)40)32-15-19-16-33-36(17-19)20-7-13-35(14-8-20)29(41)25-30(9-10-30)31(25)11-12-31;1-18-5-6-24(26(37)33-18)36-27(38)22-3-2-4-23(25(22)28(36)39)31-15-20-16-32-35(17-20)21-8-11-34(12-9-21)29(40)30-10-7-19(13-30)14-30/h4-6,13-14,17,20,22-28,35H,1,7-12H2,2-3H3,(H,37,41);3-5,13-14,19,21-27,34H,1,6-12H2,2H3,(H,36,40);2-4,12-13,16,19,21-27,33H,1,5-11H2,(H,35,39);2-4,16-17,20,23,25,32H,1,5-15H2,(H,34,38);2-4,16-17,19,21,24,31H,1,5-15H2,(H,33,37)/t17-,20?,22?,23?,24?,25?,26?,27?,28?,34?;;;;/m0..../s1.
What are the key properties of 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 2833.31 g/mol, XLogP of 14.67, 30 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(dispiro[2.0.24.13]heptane-7-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 161365154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).