1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate

C252H261Cl19N42O11 — CID 159659068

IUPAC1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)c1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CC(C)CCNc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CCCCCc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CCOC(=O)N1CCC(Nc2nccc(-c3ccc(N4CCN(C(=O)Cc5c(Cl)cccc5Cl)CC4)cc3)n2)CC1.Cc1cccc(Cl)c1Cc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(-c4ccccc4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(NC4CCCCC4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(NCc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C30H27Cl3N4O.C30H34Cl2N6O3.C29H27Cl2N5O.C28H31Cl2N5O.C28H24Cl2N4O.C27H29Cl2N5O.C27H31Cl2N5O.C27H30Cl2N4O.C26H28Cl2N4O/c1-20-4-2-5-25(31)23(20)18-29-34-13-12-28(35-29)21-8-10-22(11-9-21)36-14-16-37(17-15-36)30(38)19-24-26(32)6-3-7-27(24)33;1-2-41-30(40)38-14-11-22(12-15-38)34-29-33-13-10-27(35-29)21-6-8-23(9-7-21)36-16-18-37(19-17-36)28(39)20-24-25(31)4-3-5-26(24)32;30-25-7-4-8-26(31)24(25)19-28(37)36-17-15-35(16-18-36)23-11-9-22(10-12-23)27-13-14-32-29(34-27)33-20-21-5-2-1-3-6-21;29-24-7-4-8-25(30)23(24)19-27(36)35-17-15-34(16-18-35)22-11-9-20(10-12-22)26-13-14-31-28(33-26)32-21-5-2-1-3-6-21;29-24-7-4-8-25(30)23(24)19-27(35)34-17-15-33(16-18-34)22-11-9-20(10-12-22)26-13-14-31-28(32-26)21-5-2-1-3-6-21;28-23-5-4-6-24(29)22(23)19-26(35)33-17-15-32(16-18-33)21-9-7-20(8-10-21)25-11-12-30-27(31-25)34-13-2-1-3-14-34;1-19(2)10-12-30-27-31-13-11-25(32-27)20-6-8-21(9-7-20)33-14-16-34(17-15-33)26(35)18-22-23(28)4-3-5-24(22)29;1-2-3-4-8-26-30-14-13-25(31-26)20-9-11-21(12-10-20)32-15-17-33(18-16-32)27(34)19-22-23(28)6-5-7-24(22)29;1-26(2,3)25-29-12-11-23(30-25)18-7-9-19(10-8-18)31-13-15-32(16-14-31)24(33)17-20-21(27)5-4-6-22(20)28/h2-13H,14-19H2,1H3;3-10,13,22H,2,11-12,14-20H2,1H3,(H,33,34,35);1-14H,15-20H2,(H,32,33,34);4,7-14,21H,1-3,5-6,15-19H2,(H,31,32,33);1-14H,15-19H2;4-12H,1-3,13-19H2;3-9,11,13,19H,10,12,14-18H2,1-2H3,(H,30,31,32);5-7,9-14H,2-4,8,15-19H2,1H3;4-12H,13-17H2,1-3H3
InChIKeyMSOGGMMQLGPBJF-UHFFFAOYSA-N
MW4727.75 g/mol
LogP53.16
Rot. Bonds56

About 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate

1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 159659068) has the molecular formula C252H261Cl19N42O11 and a molecular weight of 4727.75 g/mol. Its IUPAC name is 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
PubChem CID159659068
Molecular FormulaC252H261Cl19N42O11
Molecular Weight4727.75 g/mol
Exact Mass4715.52
IUPAC Name1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)c1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CC(C)CCNc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CCCCCc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CCOC(=O)N1CCC(Nc2nccc(-c3ccc(N4CCN(C(=O)Cc5c(Cl)cccc5Cl)CC4)cc3)n2)CC1.Cc1cccc(Cl)c1Cc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(-c4ccccc4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(NC4CCCCC4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(NCc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C30H27Cl3N4O.C30H34Cl2N6O3.C29H27Cl2N5O.C28H31Cl2N5O.C28H24Cl2N4O.C27H29Cl2N5O.C27H31Cl2N5O.C27H30Cl2N4O.C26H28Cl2N4O/c1-20-4-2-5-25(31)23(20)18-29-34-13-12-28(35-29)21-8-10-22(11-9-21)36-14-16-37(17-15-36)30(38)19-24-26(32)6-3-7-27(24)33;1-2-41-30(40)38-14-11-22(12-15-38)34-29-33-13-10-27(35-29)21-6-8-23(9-7-21)36-16-18-37(19-17-36)28(39)20-24-25(31)4-3-5-26(24)32;30-25-7-4-8-26(31)24(25)19-28(37)36-17-15-35(16-18-36)23-11-9-22(10-12-23)27-13-14-32-29(34-27)33-20-21-5-2-1-3-6-21;29-24-7-4-8-25(30)23(24)19-27(36)35-17-15-34(16-18-35)22-11-9-20(10-12-22)26-13-14-31-28(33-26)32-21-5-2-1-3-6-21;29-24-7-4-8-25(30)23(24)19-27(35)34-17-15-33(16-18-34)22-11-9-20(10-12-22)26-13-14-31-28(32-26)21-5-2-1-3-6-21;28-23-5-4-6-24(29)22(23)19-26(35)33-17-15-32(16-18-33)21-9-7-20(8-10-21)25-11-12-30-27(31-25)34-13-2-1-3-14-34;1-19(2)10-12-30-27-31-13-11-25(32-27)20-6-8-21(9-7-20)33-14-16-34(17-15-33)26(35)18-22-23(28)4-3-5-24(22)29;1-2-3-4-8-26-30-14-13-25(31-26)20-9-11-21(12-10-20)32-15-17-33(18-16-32)27(34)19-22-23(28)6-5-7-24(22)29;1-26(2,3)25-29-12-11-23(30-25)18-7-9-19(10-8-18)31-13-15-32(16-14-31)24(33)17-20-21(27)5-4-6-22(20)28/h2-13H,14-19H2,1H3;3-10,13,22H,2,11-12,14-20H2,1H3,(H,33,34,35);1-14H,15-20H2,(H,32,33,34);4,7-14,21H,1-3,5-6,15-19H2,(H,31,32,33);1-14H,15-19H2;4-12H,1-3,13-19H2;3-9,11,13,19H,10,12,14-18H2,1-2H3,(H,30,31,32);5-7,9-14H,2-4,8,15-19H2,1H3;4-12H,13-17H2,1-3H3
InChIKeyMSOGGMMQLGPBJF-UHFFFAOYSA-N
XLogP53.16
TPSA524.87 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds56
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004727.75
LogP ≤ 553.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Analyze 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

8-[4-[6-[2-[3-chloro-4-[1,7-diethyl-8-(3-fluoro-4-piperazin-1-ylanilino)-2-oxo-6H-pyrido[2,3-b]azepin-3-yl]phenyl]pyrimidin-4-yl]piperidin-3-yl]anilino]-3-(2-chloro-4-pyrimidin-2-ylphenyl)-1,7-diethyl-6H-pyrido[2,3-b]azepin-2-one
CID 145549527
8-chloro-3-[(1S)-1-[[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;bis(8-chloro-3-[(1S)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one);8-chloro-3-[(1S)-1-[(2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one;methane
CID 158187992
Tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[5-[[4-[2-[2-(1-amino-1-oxopropan-2-yl)phenyl]ethynyl]-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[5-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridinyl]piperidine-1-carboxylate;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 158448433
2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(6-amino-2-chloropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one
CID 158643222
tris(3-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl]-8-chloro-2-cyclopropylisoquinolin-1-one);3-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethyl]-2-cyclopropylisoquinolin-1-one;8-chloro-3-[(1S)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 159634520
2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[(6-amino-2-chloropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one
CID 160554307
8-chloro-3-[(1R)-1-[[2-(cyclopropylmethyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 160692904
2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[(6-amino-2-chloropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one
CID 161278530
2-[[(2S)-2-aminopropanoyl]amino]ethyl N-[4-(3-chlorophenyl)pyrimidin-2-yl]-N-[4-(trifluoromethyl)phenyl]carbamate;2-(2-aminopropanoylamino)ethyl N-[4-(3-chlorophenyl)pyrimidin-2-yl]-N-[4-(trifluoromethyl)phenyl]carbamate;3-[[4-(3-chlorophenyl)pyrimidin-2-yl]-[4-(trifluoromethyl)phenyl]carbamoyl]oxypropyl 2-aminopropanoate;3-[[4-(3-chlorophenyl)pyrimidin-2-yl]-[4-(trifluoromethyl)phenyl]carbamoyl]oxypropyl (2S)-2-aminopropanoate
CID 161337430
8-chloro-3-[(1S)-1-[(2-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one;3-[(2R)-1-(2-methylpyrido[3,2-d]pyrimidin-4-yl)propan-2-yl]-2-phenyl-8-pyrimidin-5-ylisoquinolin-1-one
CID 157174365
3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-amino-5-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-amino-5-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-8-(2-methyl-4-pyridinyl)-2-phenylisoquinolin-1-one;4-chloro-5-iodopyrimidin-2-amine;4-chloro-5-pyridin-3-ylpyrimidin-2-amine;(2-methyl-4-pyridinyl)boronic acid;pyridin-3-ylboronic acid
CID 157375968
2-[2-[2-[2-[[4-(1-aminoethyl)phenyl]methyl]-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide;tert-butyl N-[1-[4-[[4-[2-[2-(2-amino-2-oxoethyl)phenyl]ethyl]-5-chloropyrimidin-2-yl]methyl]phenyl]ethyl]carbamate;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide;2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethynyl]phenyl]acetamide;2-(2-ethynylphenyl)acetamide;methane;4-propan-2-ylaniline;2,4,5-trichloropyrimidine
CID 157451954

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate (CID 159659068) is 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)c1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CC(C)CCNc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CCCCCc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.CCOC(=O)N1CCC(Nc2nccc(-c3ccc(N4CCN(C(=O)Cc5c(Cl)cccc5Cl)CC4)cc3)n2)CC1.Cc1cccc(Cl)c1Cc1nccc(-c2ccc(N3CCN(C(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)n1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(-c4ccccc4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(NC4CCCCC4)n3)cc2)CC1.O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccc(-c3ccnc(NCc4ccccc4)n3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is MSOGGMMQLGPBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl3N4O.C30H34Cl2N6O3.C29H27Cl2N5O.C28H31Cl2N5O.C28H24Cl2N4O.C27H29Cl2N5O.C27H31Cl2N5O.C27H30Cl2N4O.C26H28Cl2N4O/c1-20-4-2-5-25(31)23(20)18-29-34-13-12-28(35-29)21-8-10-22(11-9-21)36-14-16-37(17-15-36)30(38)19-24-26(32)6-3-7-27(24)33;1-2-41-30(40)38-14-11-22(12-15-38)34-29-33-13-10-27(35-29)21-6-8-23(9-7-21)36-16-18-37(19-17-36)28(39)20-24-25(31)4-3-5-26(24)32;30-25-7-4-8-26(31)24(25)19-28(37)36-17-15-35(16-18-36)23-11-9-22(10-12-23)27-13-14-32-29(34-27)33-20-21-5-2-1-3-6-21;29-24-7-4-8-25(30)23(24)19-27(36)35-17-15-34(16-18-35)22-11-9-20(10-12-22)26-13-14-31-28(33-26)32-21-5-2-1-3-6-21;29-24-7-4-8-25(30)23(24)19-27(35)34-17-15-33(16-18-34)22-11-9-20(10-12-22)26-13-14-31-28(32-26)21-5-2-1-3-6-21;28-23-5-4-6-24(29)22(23)19-26(35)33-17-15-32(16-18-33)21-9-7-20(8-10-21)25-11-12-30-27(31-25)34-13-2-1-3-14-34;1-19(2)10-12-30-27-31-13-11-25(32-27)20-6-8-21(9-7-20)33-14-16-34(17-15-33)26(35)18-22-23(28)4-3-5-24(22)29;1-2-3-4-8-26-30-14-13-25(31-26)20-9-11-21(12-10-20)32-15-17-33(18-16-32)27(34)19-22-23(28)6-5-7-24(22)29;1-26(2,3)25-29-12-11-23(30-25)18-7-9-19(10-8-18)31-13-15-32(16-14-31)24(33)17-20-21(27)5-4-6-22(20)28/h2-13H,14-19H2,1H3;3-10,13,22H,2,11-12,14-20H2,1H3,(H,33,34,35);1-14H,15-20H2,(H,32,33,34);4,7-14,21H,1-3,5-6,15-19H2,(H,31,32,33);1-14H,15-19H2;4-12H,1-3,13-19H2;3-9,11,13,19H,10,12,14-18H2,1-2H3,(H,30,31,32);5-7,9-14H,2-4,8,15-19H2,1H3;4-12H,13-17H2,1-3H3.
What are the key properties of 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate?
1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 4727.75 g/mol, XLogP of 53.16, 56 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(benzylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-(2-tert-butylpyrimidin-4-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-[(2-chloro-6-methylphenyl)methyl]pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;1-[4-[4-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-pentylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-phenylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;2-(2,6-dichlorophenyl)-1-[4-[4-(2-piperidin-1-ylpyrimidin-4-yl)phenyl]piperazin-1-yl]ethanone;ethyl 4-[[4-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 159659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).