4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C210H203ClF2N42O28 — CID 158195618

IUPAC4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(CC5=CCc6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CC5CCOc6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CCC5CCOCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CCN5CCOCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5ccc(F)cc5F)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc(Cl)c5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc6[nH]ccc56)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc6c5CCCO6)c4)c3C2=O)C(=O)N1
InChIInChI=1S/2C28H27N5O4.C28H25N5O3.C27H24N6O3.C25H22ClN5O3.C25H21F2N5O3.C25H29N5O4.C24H28N6O4/c1-17-10-11-23(26(34)31-17)33-27(35)21-6-3-8-22(25(21)28(33)36)29-13-18-14-30-32(15-18)16-19-5-2-9-24-20(19)7-4-12-37-24;1-17-9-10-23(26(34)31-17)33-27(35)21-6-4-7-22(25(21)28(33)36)29-13-18-14-30-32(15-18)16-19-11-12-37-24-8-3-2-5-20(19)24;1-17-9-12-24(26(34)31-17)33-27(35)22-7-4-8-23(25(22)28(33)36)29-13-18-14-30-32(15-18)16-20-11-10-19-5-2-3-6-21(19)20;1-16-8-9-23(25(34)31-16)33-26(35)20-5-3-7-22(24(20)27(33)36)29-12-17-13-30-32(14-17)15-18-4-2-6-21-19(18)10-11-28-21;1-15-8-9-21(23(32)29-15)31-24(33)19-6-3-7-20(22(19)25(31)34)27-11-17-12-28-30(14-17)13-16-4-2-5-18(26)10-16;1-14-5-8-21(23(33)30-14)32-24(34)18-3-2-4-20(22(18)25(32)35)28-10-15-11-29-31(12-15)13-16-6-7-17(26)9-19(16)27;1-16-5-6-21(23(31)28-16)30-24(32)19-3-2-4-20(22(19)25(30)33)26-13-18-14-27-29(15-18)10-7-17-8-11-34-12-9-17;1-16-5-6-20(22(31)27-16)30-23(32)18-3-2-4-19(21(18)24(30)33)25-13-17-14-26-29(15-17)8-7-28-9-11-34-12-10-28/h2-3,5-6,8-9,14-15,23,29H,1,4,7,10-13,16H2,(H,31,34);2-8,14-15,19,23,29H,1,9-13,16H2,(H,31,34);2-8,11,14-15,24,29H,1,9-10,12-13,16H2,(H,31,34);2-7,10-11,13-14,23,28-29H,1,8-9,12,15H2,(H,31,34);2-7,10,12,14,21,27H,1,8-9,11,13H2,(H,29,32);2-4,6-7,9,11-12,21,28H,1,5,8,10,13H2,(H,30,33);2-4,14-15,17,21,26H,1,5-13H2,(H,28,31);2-4,14-15,20,25H,1,5-13H2,(H,27,31)
InChIKeyGAHNZYGTXBEFRN-UHFFFAOYSA-N
MW3836.65 g/mol
LogP24.35
Rot. Bonds50

About 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 158195618) has the molecular formula C210H203ClF2N42O28 and a molecular weight of 3836.65 g/mol. Its IUPAC name is 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
PubChem CID158195618
Molecular FormulaC210H203ClF2N42O28
Molecular Weight3836.65 g/mol
Exact Mass3833.54
IUPAC Name4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(CC5=CCc6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CC5CCOc6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CCC5CCOCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CCN5CCOCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5ccc(F)cc5F)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc(Cl)c5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc6[nH]ccc56)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc6c5CCCO6)c4)c3C2=O)C(=O)N1
InChIInChI=1S/2C28H27N5O4.C28H25N5O3.C27H24N6O3.C25H22ClN5O3.C25H21F2N5O3.C25H29N5O4.C24H28N6O4/c1-17-10-11-23(26(34)31-17)33-27(35)21-6-3-8-22(25(21)28(33)36)29-13-18-14-30-32(15-18)16-19-5-2-9-24-20(19)7-4-12-37-24;1-17-9-10-23(26(34)31-17)33-27(35)21-6-4-7-22(25(21)28(33)36)29-13-18-14-30-32(15-18)16-19-11-12-37-24-8-3-2-5-20(19)24;1-17-9-12-24(26(34)31-17)33-27(35)22-7-4-8-23(25(22)28(33)36)29-13-18-14-30-32(15-18)16-20-11-10-19-5-2-3-6-21(19)20;1-16-8-9-23(25(34)31-16)33-26(35)20-5-3-7-22(24(20)27(33)36)29-12-17-13-30-32(14-17)15-18-4-2-6-21-19(18)10-11-28-21;1-15-8-9-21(23(32)29-15)31-24(33)19-6-3-7-20(22(19)25(31)34)27-11-17-12-28-30(14-17)13-16-4-2-5-18(26)10-16;1-14-5-8-21(23(33)30-14)32-24(34)18-3-2-4-20(22(18)25(32)35)28-10-15-11-29-31(12-15)13-16-6-7-17(26)9-19(16)27;1-16-5-6-21(23(31)28-16)30-24(32)19-3-2-4-20(22(19)25(30)33)26-13-18-14-27-29(15-18)10-7-17-8-11-34-12-9-17;1-16-5-6-20(22(31)27-16)30-23(32)18-3-2-4-19(21(18)24(30)33)25-13-17-14-26-29(15-17)8-7-28-9-11-34-12-10-28/h2-3,5-6,8-9,14-15,23,29H,1,4,7,10-13,16H2,(H,31,34);2-8,14-15,19,23,29H,1,9-13,16H2,(H,31,34);2-8,11,14-15,24,29H,1,9-10,12-13,16H2,(H,31,34);2-7,10-11,13-14,23,28-29H,1,8-9,12,15H2,(H,31,34);2-7,10,12,14,21,27H,1,8-9,11,13H2,(H,29,32);2-4,6-7,9,11-12,21,28H,1,5,8,10,13H2,(H,30,33);2-4,14-15,17,21,26H,1,5-13H2,(H,28,31);2-4,14-15,20,25H,1,5-13H2,(H,27,31)
InChIKeyGAHNZYGTXBEFRN-UHFFFAOYSA-N
XLogP24.35
TPSA826.59 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds50
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003836.65
LogP ≤ 524.35
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]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-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 158195618) is 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CC5=CCc6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CC5CCOc6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CCC5CCOCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CCN5CCOCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5ccc(F)cc5F)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc(Cl)c5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc6[nH]ccc56)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(Cc5cccc6c5CCCO6)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is GAHNZYGTXBEFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5O4.C28H25N5O3.C27H24N6O3.C25H22ClN5O3.C25H21F2N5O3.C25H29N5O4.C24H28N6O4/c1-17-10-11-23(26(34)31-17)33-27(35)21-6-3-8-22(25(21)28(33)36)29-13-18-14-30-32(15-18)16-19-5-2-9-24-20(19)7-4-12-37-24;1-17-9-10-23(26(34)31-17)33-27(35)21-6-4-7-22(25(21)28(33)36)29-13-18-14-30-32(15-18)16-19-11-12-37-24-8-3-2-5-20(19)24;1-17-9-12-24(26(34)31-17)33-27(35)22-7-4-8-23(25(22)28(33)36)29-13-18-14-30-32(15-18)16-20-11-10-19-5-2-3-6-21(19)20;1-16-8-9-23(25(34)31-16)33-26(35)20-5-3-7-22(24(20)27(33)36)29-12-17-13-30-32(14-17)15-18-4-2-6-21-19(18)10-11-28-21;1-15-8-9-21(23(32)29-15)31-24(33)19-6-3-7-20(22(19)25(31)34)27-11-17-12-28-30(14-17)13-16-4-2-5-18(26)10-16;1-14-5-8-21(23(33)30-14)32-24(34)18-3-2-4-20(22(18)25(32)35)28-10-15-11-29-31(12-15)13-16-6-7-17(26)9-19(16)27;1-16-5-6-21(23(31)28-16)30-24(32)19-3-2-4-20(22(19)25(30)33)26-13-18-14-27-29(15-18)10-7-17-8-11-34-12-9-17;1-16-5-6-20(22(31)27-16)30-23(32)18-3-2-4-19(21(18)24(30)33)25-13-17-14-26-29(15-17)8-7-28-9-11-34-12-10-28/h2-3,5-6,8-9,14-15,23,29H,1,4,7,10-13,16H2,(H,31,34);2-8,14-15,19,23,29H,1,9-13,16H2,(H,31,34);2-8,11,14-15,24,29H,1,9-10,12-13,16H2,(H,31,34);2-7,10-11,13-14,23,28-29H,1,8-9,12,15H2,(H,31,34);2-7,10,12,14,21,27H,1,8-9,11,13H2,(H,29,32);2-4,6-7,9,11-12,21,28H,1,5,8,10,13H2,(H,30,33);2-4,14-15,17,21,26H,1,5-13H2,(H,28,31);2-4,14-15,20,25H,1,5-13H2,(H,27,31).
What are the key properties of 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 3836.65 g/mol, XLogP of 24.35, 50 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3,4-dihydro-2H-chromen-5-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(3H-inden-1-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1H-indol-4-ylmethyl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[2-(oxan-4-yl)ethyl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 158195618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).