2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione

C205H202FN51O26 — CID 158157963

IUPAC2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCN(Cc1ccccc1)c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.CCN(Cc1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.CN(c1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.Cc1cc(C)c(Nc2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c(C)c1.Cc1cccc(N2CCN(c3nccc(Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)n3)CC2)c1.O=C1CCC(N2Cc3c(Nc4ccnc(NCCCN5CCCC5=O)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccc6c(c5)CCC6)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccccc5F)n4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C28H29N7O4.C28H29N7O3.C26H24N6O3.2C26H26N6O3.C24H27N7O4.C24H22N6O3.C23H19FN6O3/c1-2-34(16-18-7-4-3-5-8-18)28-29-14-13-23(32-28)30-15-25(37)31-21-10-6-9-19-20(21)17-35(27(19)39)22-11-12-24(36)33-26(22)38;1-18-4-2-5-19(16-18)33-12-14-34(15-13-33)28-29-11-10-24(31-28)30-22-7-3-6-20-21(22)17-35(27(20)38)23-8-9-25(36)32-26(23)37;33-23-10-9-21(24(34)31-23)32-14-19-18(25(32)35)5-2-6-20(19)29-22-11-12-27-26(30-22)28-17-8-7-15-3-1-4-16(15)13-17;1-14-11-15(2)23(16(3)12-14)31-26-27-10-9-21(29-26)28-19-6-4-5-17-18(19)13-32(25(17)35)20-7-8-22(33)30-24(20)34;1-2-31(15-17-7-4-3-5-8-17)26-27-14-13-22(29-26)28-20-10-6-9-18-19(20)16-32(25(18)35)21-11-12-23(33)30-24(21)34;32-20-8-7-18(22(34)29-20)31-14-16-15(23(31)35)4-1-5-17(16)27-19-9-11-26-24(28-19)25-10-3-13-30-12-2-6-21(30)33;1-29(15-6-3-2-4-7-15)24-25-13-12-20(27-24)26-18-9-5-8-16-17(18)14-30(23(16)33)19-10-11-21(31)28-22(19)32;24-15-5-1-2-6-17(15)27-23-25-11-10-19(28-23)26-16-7-3-4-13-14(16)12-30(22(13)33)18-8-9-20(31)29-21(18)32/h3-10,13-14,22H,2,11-12,15-17H2,1H3,(H,31,37)(H,29,30,32)(H,33,36,38);2-7,10-11,16,23H,8-9,12-15,17H2,1H3,(H,29,30,31)(H,32,36,37);2,5-8,11-13,21H,1,3-4,9-10,14H2,(H,31,33,34)(H2,27,28,29,30);4-6,9-12,20H,7-8,13H2,1-3H3,(H,30,33,34)(H2,27,28,29,31);3-10,13-14,21H,2,11-12,15-16H2,1H3,(H,27,28,29)(H,30,33,34);1,4-5,9,11,18H,2-3,6-8,10,12-14H2,(H,29,32,34)(H2,25,26,27,28);2-9,12-13,19H,10-11,14H2,1H3,(H,25,26,27)(H,28,31,32);1-7,10-11,18H,8-9,12H2,(H,29,31,32)(H2,25,26,27,28)
InChIKeyFVXQHORXFKAIGT-UHFFFAOYSA-N
MW3815.20 g/mol
LogP21.82
Rot. Bonds49

About 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione

2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 158157963) has the molecular formula C205H202FN51O26 and a molecular weight of 3815.20 g/mol. Its IUPAC name is 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID158157963
Molecular FormulaC205H202FN51O26
Molecular Weight3815.20 g/mol
Exact Mass3812.60
IUPAC Name2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCN(Cc1ccccc1)c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.CCN(Cc1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.CN(c1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.Cc1cc(C)c(Nc2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c(C)c1.Cc1cccc(N2CCN(c3nccc(Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)n3)CC2)c1.O=C1CCC(N2Cc3c(Nc4ccnc(NCCCN5CCCC5=O)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccc6c(c5)CCC6)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccccc5F)n4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C28H29N7O4.C28H29N7O3.C26H24N6O3.2C26H26N6O3.C24H27N7O4.C24H22N6O3.C23H19FN6O3/c1-2-34(16-18-7-4-3-5-8-18)28-29-14-13-23(32-28)30-15-25(37)31-21-10-6-9-19-20(21)17-35(27(19)39)22-11-12-24(36)33-26(22)38;1-18-4-2-5-19(16-18)33-12-14-34(15-13-33)28-29-11-10-24(31-28)30-22-7-3-6-20-21(22)17-35(27(20)38)23-8-9-25(36)32-26(23)37;33-23-10-9-21(24(34)31-23)32-14-19-18(25(32)35)5-2-6-20(19)29-22-11-12-27-26(30-22)28-17-8-7-15-3-1-4-16(15)13-17;1-14-11-15(2)23(16(3)12-14)31-26-27-10-9-21(29-26)28-19-6-4-5-17-18(19)13-32(25(17)35)20-7-8-22(33)30-24(20)34;1-2-31(15-17-7-4-3-5-8-17)26-27-14-13-22(29-26)28-20-10-6-9-18-19(20)16-32(25(18)35)21-11-12-23(33)30-24(21)34;32-20-8-7-18(22(34)29-20)31-14-16-15(23(31)35)4-1-5-17(16)27-19-9-11-26-24(28-19)25-10-3-13-30-12-2-6-21(30)33;1-29(15-6-3-2-4-7-15)24-25-13-12-20(27-24)26-18-9-5-8-16-17(18)14-30(23(16)33)19-10-11-21(31)28-22(19)32;24-15-5-1-2-6-17(15)27-23-25-11-10-19(28-23)26-16-7-3-4-13-14(16)12-30(22(13)33)18-8-9-20(31)29-21(18)32/h3-10,13-14,22H,2,11-12,15-17H2,1H3,(H,31,37)(H,29,30,32)(H,33,36,38);2-7,10-11,16,23H,8-9,12-15,17H2,1H3,(H,29,30,31)(H,32,36,37);2,5-8,11-13,21H,1,3-4,9-10,14H2,(H,31,33,34)(H2,27,28,29,30);4-6,9-12,20H,7-8,13H2,1-3H3,(H,30,33,34)(H2,27,28,29,31);3-10,13-14,21H,2,11-12,15-16H2,1H3,(H,27,28,29)(H,30,33,34);1,4-5,9,11,18H,2-3,6-8,10,12-14H2,(H,29,32,34)(H2,25,26,27,28);2-9,12-13,19H,10-11,14H2,1H3,(H,25,26,27)(H,28,31,32);1-7,10-11,18H,8-9,12H2,(H,29,31,32)(H2,25,26,27,28)
InChIKeyFVXQHORXFKAIGT-UHFFFAOYSA-N
XLogP21.82
TPSA948.05 Ų
H-Bond Donors21
H-Bond Acceptors59
Rotatable Bonds49
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003815.20
LogP ≤ 521.82
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[9-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166628
3-[6-[4-[[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166675
3-[6-[4-[2-[3-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166712
3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166727
8-[4-[6-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-2-(4-fluoroanilino)pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octanamide
CID 162652888
3-[[2-[4-[6-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-2-(4-fluoroanilino)pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]acetyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 162655816
3-[6-[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166717
3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177377261
3-[6-[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl-methylamino]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177652775
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[[5-fluoro-4-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 177653575
3-[6-[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methylamino]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177654937
3-[6-[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]amino]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177656045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 158157963) is 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione is CCN(Cc1ccccc1)c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.CCN(Cc1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.CN(c1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.Cc1cc(C)c(Nc2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c(C)c1.Cc1cccc(N2CCN(c3nccc(Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)n3)CC2)c1.O=C1CCC(N2Cc3c(Nc4ccnc(NCCCN5CCCC5=O)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccc6c(c5)CCC6)n4)cccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccccc5F)n4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FVXQHORXFKAIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4.C28H29N7O3.C26H24N6O3.2C26H26N6O3.C24H27N7O4.C24H22N6O3.C23H19FN6O3/c1-2-34(16-18-7-4-3-5-8-18)28-29-14-13-23(32-28)30-15-25(37)31-21-10-6-9-19-20(21)17-35(27(19)39)22-11-12-24(36)33-26(22)38;1-18-4-2-5-19(16-18)33-12-14-34(15-13-33)28-29-11-10-24(31-28)30-22-7-3-6-20-21(22)17-35(27(20)38)23-8-9-25(36)32-26(23)37;33-23-10-9-21(24(34)31-23)32-14-19-18(25(32)35)5-2-6-20(19)29-22-11-12-27-26(30-22)28-17-8-7-15-3-1-4-16(15)13-17;1-14-11-15(2)23(16(3)12-14)31-26-27-10-9-21(29-26)28-19-6-4-5-17-18(19)13-32(25(17)35)20-7-8-22(33)30-24(20)34;1-2-31(15-17-7-4-3-5-8-17)26-27-14-13-22(29-26)28-20-10-6-9-18-19(20)16-32(25(18)35)21-11-12-23(33)30-24(21)34;32-20-8-7-18(22(34)29-20)31-14-16-15(23(31)35)4-1-5-17(16)27-19-9-11-26-24(28-19)25-10-3-13-30-12-2-6-21(30)33;1-29(15-6-3-2-4-7-15)24-25-13-12-20(27-24)26-18-9-5-8-16-17(18)14-30(23(16)33)19-10-11-21(31)28-22(19)32;24-15-5-1-2-6-17(15)27-23-25-11-10-19(28-23)26-16-7-3-4-13-14(16)12-30(22(13)33)18-8-9-20(31)29-21(18)32/h3-10,13-14,22H,2,11-12,15-17H2,1H3,(H,31,37)(H,29,30,32)(H,33,36,38);2-7,10-11,16,23H,8-9,12-15,17H2,1H3,(H,29,30,31)(H,32,36,37);2,5-8,11-13,21H,1,3-4,9-10,14H2,(H,31,33,34)(H2,27,28,29,30);4-6,9-12,20H,7-8,13H2,1-3H3,(H,30,33,34)(H2,27,28,29,31);3-10,13-14,21H,2,11-12,15-16H2,1H3,(H,27,28,29)(H,30,33,34);1,4-5,9,11,18H,2-3,6-8,10,12-14H2,(H,29,32,34)(H2,25,26,27,28);2-9,12-13,19H,10-11,14H2,1H3,(H,25,26,27)(H,28,31,32);1-7,10-11,18H,8-9,12H2,(H,29,31,32)(H2,25,26,27,28).
What are the key properties of 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 3815.20 g/mol, XLogP of 21.82, 49 rotatable bonds, 21 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;3-[7-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 158157963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).