2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide

C167H156FN37O24 — CID 161873412

IUPAC2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
SMILESCC(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC(=C(C=C1)OC)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=CC(=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.C=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)F.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)C6=CC=CC=C6
InChIInChI=1S/C31H26N6O4.C28H28N6O5.C28H26N6O4.C27H27N7O4.C27H26N6O4.C26H23FN6O3/c38-27-14-13-25(30(40)36-27)37-18-23-22(31(37)41)7-4-8-24(23)34-28(39)17-33-26-15-16-32-29(35-26)21-11-9-20(10-12-21)19-5-2-1-3-6-19;1-16-7-9-22(27(36)31-16)34-15-20-18(28(34)37)5-4-6-21(20)32-25(35)14-30-24-11-12-29-26(33-24)19-13-17(38-2)8-10-23(19)39-3;1-16-6-11-23(27(37)31-16)34-15-21-20(28(34)38)4-3-5-22(21)32-25(36)14-30-24-12-13-29-26(33-24)19-9-7-18(8-10-19)17(2)35;1-16-6-11-22(25(36)30-16)34-15-20-19(26(34)37)4-3-5-21(20)32-24(35)14-29-23-12-13-28-27(33-23)31-17-7-9-18(38-2)10-8-17;1-16-9-10-22(26(35)30-16)33-15-20-19(27(33)36)7-4-8-21(20)31-24(34)14-29-23-11-12-28-25(32-23)17-5-3-6-18(13-17)37-2;1-15-5-10-21(25(35)30-15)33-14-19-18(26(33)36)3-2-4-20(19)31-23(34)13-29-22-11-12-28-24(32-22)16-6-8-17(27)9-7-16/h1-12,15-16,25H,13-14,17-18H2,(H,34,39)(H,32,33,35)(H,36,38,40);4-6,8,10-13,22H,1,7,9,14-15H2,2-3H3,(H,31,36)(H,32,35)(H,29,30,33);3-5,7-10,12-13,23H,1,6,11,14-15H2,2H3,(H,31,37)(H,32,36)(H,29,30,33);3-5,7-10,12-13,22H,1,6,11,14-15H2,2H3,(H,30,36)(H,32,35)(H2,28,29,31,33);3-8,11-13,22H,1,9-10,14-15H2,2H3,(H,30,35)(H,31,34)(H,28,29,32);2-4,6-9,11-12,21H,1,5,10,13-14H2,(H,30,35)(H,31,34)(H,28,29,32)
InChIKeyYBXDSDFCYQUVFP-UHFFFAOYSA-N
MW3084.30 g/mol
LogP
Rot. Bonds43

About 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide

2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide (PubChem CID 161873412) has the molecular formula C167H156FN37O24 and a molecular weight of 3084.30 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
PubChem CID161873412
Molecular FormulaC167H156FN37O24
Molecular Weight3084.30 g/mol
Exact Mass3083.21
IUPAC Name2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
SMILESCC(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC(=C(C=C1)OC)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=CC(=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.C=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)F.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)C6=CC=CC=C6
InChIInChI=1S/C31H26N6O4.C28H28N6O5.C28H26N6O4.C27H27N7O4.C27H26N6O4.C26H23FN6O3/c38-27-14-13-25(30(40)36-27)37-18-23-22(31(37)41)7-4-8-24(23)34-28(39)17-33-26-15-16-32-29(35-26)21-11-9-20(10-12-21)19-5-2-1-3-6-19;1-16-7-9-22(27(36)31-16)34-15-20-18(28(34)37)5-4-6-21(20)32-25(35)14-30-24-11-12-29-26(33-24)19-13-17(38-2)8-10-23(19)39-3;1-16-6-11-23(27(37)31-16)34-15-21-20(28(34)38)4-3-5-22(21)32-25(36)14-30-24-12-13-29-26(33-24)19-9-7-18(8-10-19)17(2)35;1-16-6-11-22(25(36)30-16)34-15-20-19(26(34)37)4-3-5-21(20)32-24(35)14-29-23-12-13-28-27(33-23)31-17-7-9-18(38-2)10-8-17;1-16-9-10-22(26(35)30-16)33-15-20-19(27(33)36)7-4-8-21(20)31-24(34)14-29-23-11-12-28-25(32-23)17-5-3-6-18(13-17)37-2;1-15-5-10-21(25(35)30-15)33-14-19-18(26(33)36)3-2-4-20(19)31-23(34)13-29-22-11-12-28-24(32-22)16-6-8-17(27)9-7-16/h1-12,15-16,25H,13-14,17-18H2,(H,34,39)(H,32,33,35)(H,36,38,40);4-6,8,10-13,22H,1,7,9,14-15H2,2-3H3,(H,31,36)(H,32,35)(H,29,30,33);3-5,7-10,12-13,23H,1,6,11,14-15H2,2H3,(H,31,37)(H,32,36)(H,29,30,33);3-5,7-10,12-13,22H,1,6,11,14-15H2,2H3,(H,30,36)(H,32,35)(H2,28,29,31,33);3-8,11-13,22H,1,9-10,14-15H2,2H3,(H,30,35)(H,31,34)(H,28,29,32);2-4,6-9,11-12,21H,1,5,10,13-14H2,(H,30,35)(H,31,34)(H,28,29,32)
InChIKeyYBXDSDFCYQUVFP-UHFFFAOYSA-N
XLogP
TPSA781.00 Ų
H-Bond Donors19
H-Bond Acceptors44
Rotatable Bonds43
Heavy Atoms229
Complexity5500

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003084.30
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
The IUPAC name of 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide (CID 161873412) is 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide.
What is the SMILES notation for 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
The canonical SMILES for 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide is CC(=O)C1=CC=C(C=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC(=C(C=C1)OC)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.COC1=CC=CC(=C1)C2=NC=CC(=N2)NCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=C)NC5=O.C=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)F.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CNC4=NC(=NC=C4)C5=CC=C(C=C5)C6=CC=CC=C6.
What is the InChIKey of 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
The InChIKey is YBXDSDFCYQUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O4.C28H28N6O5.C28H26N6O4.C27H27N7O4.C27H26N6O4.C26H23FN6O3/c38-27-14-13-25(30(40)36-27)37-18-23-22(31(37)41)7-4-8-24(23)34-28(39)17-33-26-15-16-32-29(35-26)21-11-9-20(10-12-21)19-5-2-1-3-6-19;1-16-7-9-22(27(36)31-16)34-15-20-18(28(34)37)5-4-6-21(20)32-25(35)14-30-24-11-12-29-26(33-24)19-13-17(38-2)8-10-23(19)39-3;1-16-6-11-23(27(37)31-16)34-15-21-20(28(34)38)4-3-5-22(21)32-25(36)14-30-24-12-13-29-26(33-24)19-9-7-18(8-10-19)17(2)35;1-16-6-11-22(25(36)30-16)34-15-20-19(26(34)37)4-3-5-21(20)32-24(35)14-29-23-12-13-28-27(33-23)31-17-7-9-18(38-2)10-8-17;1-16-9-10-22(26(35)30-16)33-15-20-19(27(33)36)7-4-8-21(20)31-24(34)14-29-23-11-12-28-25(32-23)17-5-3-6-18(13-17)37-2;1-15-5-10-21(25(35)30-15)33-14-19-18(26(33)36)3-2-4-20(19)31-23(34)13-29-22-11-12-28-24(32-22)16-6-8-17(27)9-7-16/h1-12,15-16,25H,13-14,17-18H2,(H,34,39)(H,32,33,35)(H,36,38,40);4-6,8,10-13,22H,1,7,9,14-15H2,2-3H3,(H,31,36)(H,32,35)(H,29,30,33);3-5,7-10,12-13,23H,1,6,11,14-15H2,2H3,(H,31,37)(H,32,36)(H,29,30,33);3-5,7-10,12-13,22H,1,6,11,14-15H2,2H3,(H,30,36)(H,32,35)(H2,28,29,31,33);3-8,11-13,22H,1,9-10,14-15H2,2H3,(H,30,35)(H,31,34)(H,28,29,32);2-4,6-9,11-12,21H,1,5,10,13-14H2,(H,30,35)(H,31,34)(H,28,29,32).
What are the key properties of 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide has a molecular weight of 3084.30 g/mol, XLogP of not available, 43 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(2,5-dimethoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]acetamide;2-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;2-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide is sourced from PubChem (CID 161873412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).