2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione

C210H212FN51O21 — CID 158215017

IUPAC2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(N(CC)Cc5ccccc5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(N(C)c5ccccc5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(N5CCN(c6cccc(C)c6)CC5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(Nc5c(C)cc(C)cc5C)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccccc5F)n4)cccc3C2=O)C(=O)N1.CCN(Cc1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.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
InChIInChI=1S/C29H31N7O3.C29H31N7O2.C27H28N6O2.C26H24N6O3.C26H26N6O3.C25H24N6O2.C24H21FN6O2.C24H27N7O4/c1-3-35(17-20-8-5-4-6-9-20)29-30-15-14-25(34-29)31-16-26(37)33-23-11-7-10-21-22(23)18-36(28(21)39)24-13-12-19(2)32-27(24)38;1-19-5-3-6-21(17-19)34-13-15-35(16-14-34)29-30-12-11-26(33-29)32-24-8-4-7-22-23(24)18-36(28(22)38)25-10-9-20(2)31-27(25)37;1-15-12-16(2)24(17(3)13-15)32-27-28-11-10-23(31-27)30-21-7-5-6-19-20(21)14-33(26(19)35)22-9-8-18(4)29-25(22)34;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;1-2-31(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;1-16-11-12-21(23(32)27-16)31-15-19-18(24(31)33)9-6-10-20(19)28-22-13-14-26-25(29-22)30(2)17-7-4-3-5-8-17;1-14-9-10-20(22(32)27-14)31-13-16-15(23(31)33)5-4-8-18(16)28-21-11-12-26-24(30-21)29-19-7-3-2-6-17(19)25;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/h4-11,14-15,24H,2-3,12-13,16-18H2,1H3,(H,32,38)(H,33,37)(H,30,31,34);3-8,11-12,17,25H,2,9-10,13-16,18H2,1H3,(H,31,37)(H,30,32,33);5-7,10-13,22H,4,8-9,14H2,1-3H3,(H,29,34)(H2,28,30,31,32);2,5-8,11-13,21H,1,3-4,9-10,14H2,(H,31,33,34)(H2,27,28,29,30);3-10,13-14,21H,2,11-12,15-16H2,1H3,(H,27,28,29)(H,30,33,34);3-10,13-14,21H,1,11-12,15H2,2H3,(H,27,32)(H,26,28,29);2-8,11-12,20H,1,9-10,13H2,(H,27,32)(H2,26,28,29,30);1,4-5,9,11,18H,2-3,6-8,10,12-14H2,(H,29,32,34)(H2,25,26,27,28)
InChIKeyGCNUNIRZLACXNQ-UHFFFAOYSA-N
MW3805.34 g/mol
LogP26.76
Rot. Bonds49

About 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione

2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 158215017) has the molecular formula C210H212FN51O21 and a molecular weight of 3805.34 g/mol. Its IUPAC name is 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]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-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID158215017
Molecular FormulaC210H212FN51O21
Molecular Weight3805.34 g/mol
Exact Mass3802.71
IUPAC Name2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(N(CC)Cc5ccccc5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(N(C)c5ccccc5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(N5CCN(c6cccc(C)c6)CC5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(Nc5c(C)cc(C)cc5C)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccccc5F)n4)cccc3C2=O)C(=O)N1.CCN(Cc1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.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
InChIInChI=1S/C29H31N7O3.C29H31N7O2.C27H28N6O2.C26H24N6O3.C26H26N6O3.C25H24N6O2.C24H21FN6O2.C24H27N7O4/c1-3-35(17-20-8-5-4-6-9-20)29-30-15-14-25(34-29)31-16-26(37)33-23-11-7-10-21-22(23)18-36(28(21)39)24-13-12-19(2)32-27(24)38;1-19-5-3-6-21(17-19)34-13-15-35(16-14-34)29-30-12-11-26(33-29)32-24-8-4-7-22-23(24)18-36(28(22)38)25-10-9-20(2)31-27(25)37;1-15-12-16(2)24(17(3)13-15)32-27-28-11-10-23(31-27)30-21-7-5-6-19-20(21)14-33(26(19)35)22-9-8-18(4)29-25(22)34;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;1-2-31(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;1-16-11-12-21(23(32)27-16)31-15-19-18(24(31)33)9-6-10-20(19)28-22-13-14-26-25(29-22)30(2)17-7-4-3-5-8-17;1-14-9-10-20(22(32)27-14)31-13-16-15(23(31)33)5-4-8-18(16)28-21-11-12-26-24(30-21)29-19-7-3-2-6-17(19)25;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/h4-11,14-15,24H,2-3,12-13,16-18H2,1H3,(H,32,38)(H,33,37)(H,30,31,34);3-8,11-12,17,25H,2,9-10,13-16,18H2,1H3,(H,31,37)(H,30,32,33);5-7,10-13,22H,4,8-9,14H2,1-3H3,(H,29,34)(H2,28,30,31,32);2,5-8,11-13,21H,1,3-4,9-10,14H2,(H,31,33,34)(H2,27,28,29,30);3-10,13-14,21H,2,11-12,15-16H2,1H3,(H,27,28,29)(H,30,33,34);3-10,13-14,21H,1,11-12,15H2,2H3,(H,27,32)(H,26,28,29);2-8,11-12,20H,1,9-10,13H2,(H,27,32)(H2,26,28,29,30);1,4-5,9,11,18H,2-3,6-8,10,12-14H2,(H,29,32,34)(H2,25,26,27,28)
InChIKeyGCNUNIRZLACXNQ-UHFFFAOYSA-N
XLogP26.76
TPSA862.70 Ų
H-Bond Donors21
H-Bond Acceptors54
Rotatable Bonds49
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003805.34
LogP ≤ 526.76
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1054

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-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]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-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]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-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 158215017) is 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]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-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]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-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione is C=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(N(CC)Cc5ccccc5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(N(C)c5ccccc5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(N5CCN(c6cccc(C)c6)CC5)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(Nc5c(C)cc(C)cc5C)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccccc5F)n4)cccc3C2=O)C(=O)N1.CCN(Cc1ccccc1)c1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1.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.
What is the InChIKey of 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GCNUNIRZLACXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O3.C29H31N7O2.C27H28N6O2.C26H24N6O3.C26H26N6O3.C25H24N6O2.C24H21FN6O2.C24H27N7O4/c1-3-35(17-20-8-5-4-6-9-20)29-30-15-14-25(34-29)31-16-26(37)33-23-11-7-10-21-22(23)18-36(28(21)39)24-13-12-19(2)32-27(24)38;1-19-5-3-6-21(17-19)34-13-15-35(16-14-34)29-30-12-11-26(33-29)32-24-8-4-7-22-23(24)18-36(28(22)38)25-10-9-20(2)31-27(25)37;1-15-12-16(2)24(17(3)13-15)32-27-28-11-10-23(31-27)30-21-7-5-6-19-20(21)14-33(26(19)35)22-9-8-18(4)29-25(22)34;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;1-2-31(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;1-16-11-12-21(23(32)27-16)31-15-19-18(24(31)33)9-6-10-20(19)28-22-13-14-26-25(29-22)30(2)17-7-4-3-5-8-17;1-14-9-10-20(22(32)27-14)31-13-16-15(23(31)33)5-4-8-18(16)28-21-11-12-26-24(30-21)29-19-7-3-2-6-17(19)25;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/h4-11,14-15,24H,2-3,12-13,16-18H2,1H3,(H,32,38)(H,33,37)(H,30,31,34);3-8,11-12,17,25H,2,9-10,13-16,18H2,1H3,(H,31,37)(H,30,32,33);5-7,10-13,22H,4,8-9,14H2,1-3H3,(H,29,34)(H2,28,30,31,32);2,5-8,11-13,21H,1,3-4,9-10,14H2,(H,31,33,34)(H2,27,28,29,30);3-10,13-14,21H,2,11-12,15-16H2,1H3,(H,27,28,29)(H,30,33,34);3-10,13-14,21H,1,11-12,15H2,2H3,(H,27,32)(H,26,28,29);2-8,11-12,20H,1,9-10,13H2,(H,27,32)(H2,26,28,29,30);1,4-5,9,11,18H,2-3,6-8,10,12-14H2,(H,29,32,34)(H2,25,26,27,28).
What are the key properties of 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione?
2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 3805.34 g/mol, XLogP of 26.76, 49 rotatable bonds, 21 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]-N-[2-(6-methylidene-2-oxopiperidin-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;4-[[2-(2-fluoroanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(N-methylanilino)pyrimidin-4-yl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]-3H-isoindol-1-one;3-[3-oxo-7-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 158215017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).