3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione

C197H177F2N43O33 — CID 158260784

IUPAC3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(F)ccc1-c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.COc1cc(F)ccc1-c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.COc1ccc(-c2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c(OC)c1.COc1cccc(-c2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c1.O=C1CCC(N2Cc3c(Nc4ccnc(-c5cc6ccccc6o5)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(-c5ccc(-c6ccccc6)cc5)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(N5CCC[C@@H]5CO)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(N5CCC[C@H]5CO)n4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C29H23N5O3.C26H23FN6O5.C25H23N5O5.C25H19N5O4.C24H20FN5O4.C24H21N5O4.2C22H24N6O4/c35-26-14-13-24(28(36)33-26)34-17-22-21(29(34)37)7-4-8-23(22)31-25-15-16-30-27(32-25)20-11-9-19(10-12-20)18-5-2-1-3-6-18;1-38-20-11-14(27)5-6-16(20)24-28-10-9-21(31-24)29-12-23(35)30-18-4-2-3-15-17(18)13-33(26(15)37)19-7-8-22(34)32-25(19)36;1-34-14-6-7-16(20(12-14)35-2)23-26-11-10-21(28-23)27-18-5-3-4-15-17(18)13-30(25(15)33)19-8-9-22(31)29-24(19)32;31-22-9-8-18(24(32)29-22)30-13-16-15(25(30)33)5-3-6-17(16)27-21-10-11-26-23(28-21)20-12-14-4-1-2-7-19(14)34-20;1-34-19-11-13(25)5-6-15(19)22-26-10-9-20(28-22)27-17-4-2-3-14-16(17)12-30(24(14)33)18-7-8-21(31)29-23(18)32;1-33-15-5-2-4-14(12-15)22-25-11-10-20(27-22)26-18-7-3-6-16-17(18)13-29(24(16)32)19-8-9-21(30)28-23(19)31;2*29-12-13-3-2-10-27(13)22-23-9-8-18(25-22)24-16-5-1-4-14-15(16)11-28(21(14)32)17-6-7-19(30)26-20(17)31/h1-12,15-16,24H,13-14,17H2,(H,30,31,32)(H,33,35,36);2-6,9-11,19H,7-8,12-13H2,1H3,(H,30,35)(H,28,29,31)(H,32,34,36);3-7,10-12,19H,8-9,13H2,1-2H3,(H,26,27,28)(H,29,31,32);1-7,10-12,18H,8-9,13H2,(H,26,27,28)(H,29,31,32);2-6,9-11,18H,7-8,12H2,1H3,(H,26,27,28)(H,29,31,32);2-7,10-12,19H,8-9,13H2,1H3,(H,25,26,27)(H,28,30,31);2*1,4-5,8-9,13,17,29H,2-3,6-7,10-12H2,(H,23,24,25)(H,26,30,31)/t;;;;;;2*13-,17?/m......10/s1
InChIKeyGHVQOXXNVQEMFO-JLOYEDANSA-N
MW3712.85 g/mol
LogP19.82
Rot. Bonds42

About 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 158260784) has the molecular formula C197H177F2N43O33 and a molecular weight of 3712.85 g/mol. Its IUPAC name is 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID158260784
Molecular FormulaC197H177F2N43O33
Molecular Weight3712.85 g/mol
Exact Mass3710.35
IUPAC Name3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(F)ccc1-c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.COc1cc(F)ccc1-c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.COc1ccc(-c2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c(OC)c1.COc1cccc(-c2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c1.O=C1CCC(N2Cc3c(Nc4ccnc(-c5cc6ccccc6o5)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(-c5ccc(-c6ccccc6)cc5)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(N5CCC[C@@H]5CO)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(N5CCC[C@H]5CO)n4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C29H23N5O3.C26H23FN6O5.C25H23N5O5.C25H19N5O4.C24H20FN5O4.C24H21N5O4.2C22H24N6O4/c35-26-14-13-24(28(36)33-26)34-17-22-21(29(34)37)7-4-8-23(22)31-25-15-16-30-27(32-25)20-11-9-19(10-12-20)18-5-2-1-3-6-18;1-38-20-11-14(27)5-6-16(20)24-28-10-9-21(31-24)29-12-23(35)30-18-4-2-3-15-17(18)13-33(26(15)37)19-7-8-22(34)32-25(19)36;1-34-14-6-7-16(20(12-14)35-2)23-26-11-10-21(28-23)27-18-5-3-4-15-17(18)13-30(25(15)33)19-8-9-22(31)29-24(19)32;31-22-9-8-18(24(32)29-22)30-13-16-15(25(30)33)5-3-6-17(16)27-21-10-11-26-23(28-21)20-12-14-4-1-2-7-19(14)34-20;1-34-19-11-13(25)5-6-15(19)22-26-10-9-20(28-22)27-17-4-2-3-14-16(17)12-30(24(14)33)18-7-8-21(31)29-23(18)32;1-33-15-5-2-4-14(12-15)22-25-11-10-20(27-22)26-18-7-3-6-16-17(18)13-29(24(16)32)19-8-9-21(30)28-23(19)31;2*29-12-13-3-2-10-27(13)22-23-9-8-18(25-22)24-16-5-1-4-14-15(16)11-28(21(14)32)17-6-7-19(30)26-20(17)31/h1-12,15-16,24H,13-14,17H2,(H,30,31,32)(H,33,35,36);2-6,9-11,19H,7-8,12-13H2,1H3,(H,30,35)(H,28,29,31)(H,32,34,36);3-7,10-12,19H,8-9,13H2,1-2H3,(H,26,27,28)(H,29,31,32);1-7,10-12,18H,8-9,13H2,(H,26,27,28)(H,29,31,32);2-6,9-11,18H,7-8,12H2,1H3,(H,26,27,28)(H,29,31,32);2-7,10-12,19H,8-9,13H2,1H3,(H,25,26,27)(H,28,30,31);2*1,4-5,8-9,13,17,29H,2-3,6-7,10-12H2,(H,23,24,25)(H,26,30,31)/t;;;;;;2*13-,17?/m......10/s1
InChIKeyGHVQOXXNVQEMFO-JLOYEDANSA-N
XLogP19.82
TPSA969.65 Ų
H-Bond Donors19
H-Bond Acceptors59
Rotatable Bonds42
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003712.85
LogP ≤ 519.82
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-2-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methane
CID 160039026
3-[7-[[4-[(4-butyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 160367633
3-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-(difluoromethyl)-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;2-[6-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2,3-dihydro-1H-indol-4-yl]pyrimidine-4-carboxamide
CID 160503789

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 158260784) is 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(F)ccc1-c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.COc1cc(F)ccc1-c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.COc1ccc(-c2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c(OC)c1.COc1cccc(-c2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c1.O=C1CCC(N2Cc3c(Nc4ccnc(-c5cc6ccccc6o5)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(-c5ccc(-c6ccccc6)cc5)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(N5CCC[C@@H]5CO)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(N5CCC[C@H]5CO)n4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GHVQOXXNVQEMFO-JLOYEDANSA-N. The full InChI is InChI=1S/C29H23N5O3.C26H23FN6O5.C25H23N5O5.C25H19N5O4.C24H20FN5O4.C24H21N5O4.2C22H24N6O4/c35-26-14-13-24(28(36)33-26)34-17-22-21(29(34)37)7-4-8-23(22)31-25-15-16-30-27(32-25)20-11-9-19(10-12-20)18-5-2-1-3-6-18;1-38-20-11-14(27)5-6-16(20)24-28-10-9-21(31-24)29-12-23(35)30-18-4-2-3-15-17(18)13-33(26(15)37)19-7-8-22(34)32-25(19)36;1-34-14-6-7-16(20(12-14)35-2)23-26-11-10-21(28-23)27-18-5-3-4-15-17(18)13-30(25(15)33)19-8-9-22(31)29-24(19)32;31-22-9-8-18(24(32)29-22)30-13-16-15(25(30)33)5-3-6-17(16)27-21-10-11-26-23(28-21)20-12-14-4-1-2-7-19(14)34-20;1-34-19-11-13(25)5-6-15(19)22-26-10-9-20(28-22)27-17-4-2-3-14-16(17)12-30(24(14)33)18-7-8-21(31)29-23(18)32;1-33-15-5-2-4-14(12-15)22-25-11-10-20(27-22)26-18-7-3-6-16-17(18)13-29(24(16)32)19-8-9-21(30)28-23(19)31;2*29-12-13-3-2-10-27(13)22-23-9-8-18(25-22)24-16-5-1-4-14-15(16)11-28(21(14)32)17-6-7-19(30)26-20(17)31/h1-12,15-16,24H,13-14,17H2,(H,30,31,32)(H,33,35,36);2-6,9-11,19H,7-8,12-13H2,1H3,(H,30,35)(H,28,29,31)(H,32,34,36);3-7,10-12,19H,8-9,13H2,1-2H3,(H,26,27,28)(H,29,31,32);1-7,10-12,18H,8-9,13H2,(H,26,27,28)(H,29,31,32);2-6,9-11,18H,7-8,12H2,1H3,(H,26,27,28)(H,29,31,32);2-7,10-12,19H,8-9,13H2,1H3,(H,25,26,27)(H,28,30,31);2*1,4-5,8-9,13,17,29H,2-3,6-7,10-12H2,(H,23,24,25)(H,26,30,31)/t;;;;;;2*13-,17?/m......10/s1.
What are the key properties of 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 3712.85 g/mol, XLogP of 19.82, 42 rotatable bonds, 19 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[2-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,4-dimethoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]acetamide;3-[7-[[2-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(4-phenylphenyl)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 158260784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).