2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

C213H193Cl9F27N67O22S11 — CID 158799803

IUPAC2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(N2CCN(C(=O)CN)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(N2CCNCC2=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ccn[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ccncn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ncccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2nccs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2nncs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCC(=NO)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCC[C@H]2CO)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/2C25H22ClF3N8O2S.C24H24ClF3N8O3S.C24H22ClF3N8O2S.C24H21ClF3N7O2S2.C23H20ClF3N8O2S2.C23H21ClF3N7O3S.C23H22ClF3N6O3S.C22H19ClF3N7O3S/c1-14(8-18(38)17-10-21(36-13-35-17)32-5-2-4-20-30-6-3-7-31-20)24-34-12-19(40-24)23(39)37-22-9-15(25(27,28)29)16(26)11-33-22;1-14(7-19(38)18-9-21(36-13-35-18)31-5-2-3-15-4-6-30-12-34-15)24-33-11-20(40-24)23(39)37-22-8-16(25(27,28)29)17(26)10-32-22;1-13(6-17(37)16-8-20(33-12-32-16)35-2-4-36(5-3-35)21(38)9-29)23-31-11-18(40-23)22(39)34-19-7-14(24(26,27)28)15(25)10-30-19;1-13(7-18(37)17-9-20(33-12-32-17)29-5-2-3-14-4-6-34-36-14)23-31-11-19(39-23)22(38)35-21-8-15(24(26,27)28)16(25)10-30-21;1-13(7-17(36)16-9-19(34-12-33-16)29-4-2-3-21-30-5-6-38-21)23-32-11-18(39-23)22(37)35-20-8-14(24(26,27)28)15(25)10-31-20;1-12(5-16(36)15-7-18(32-10-31-15)28-4-2-3-20-35-33-11-38-20)22-30-9-17(39-22)21(37)34-19-6-13(23(25,26)27)14(24)8-29-19;1-12(6-17(35)16-8-20(31-11-30-16)34-4-2-13(33-37)3-5-34)22-29-10-18(38-22)21(36)32-19-7-14(23(25,26)27)15(24)9-28-19;1-12(5-17(35)16-7-20(31-11-30-16)33-4-2-3-13(33)10-34)22-29-9-18(37-22)21(36)32-19-6-14(23(25,26)27)15(24)8-28-19;1-11(4-15(34)14-6-18(31-10-30-14)33-3-2-27-9-19(33)35)21-29-8-16(37-21)20(36)32-17-5-12(22(24,25)26)13(23)7-28-17/h3,6-7,9-14H,2,4-5,8H2,1H3,(H,32,35,36)(H,33,37,39);4,6,8-14H,2-3,5,7H2,1H3,(H,31,35,36)(H,32,37,39);7-8,10-13H,2-6,9,29H2,1H3,(H,30,34,39);4,6,8-13H,2-3,5,7H2,1H3,(H,34,36)(H,29,32,33)(H,30,35,38);5-6,8-13H,2-4,7H2,1H3,(H,29,33,34)(H,31,35,37);6-12H,2-5H2,1H3,(H,28,31,32)(H,29,34,37);7-12,37H,2-6H2,1H3,(H,28,32,36);6-9,11-13,34H,2-5,10H2,1H3,(H,28,32,36);5-8,10-11,27H,2-4,9H2,1H3,(H,28,32,36)/t;;;;;;12-;12-,13-;/m......00./s1
InChIKeyITILEFDRCAKWDM-ZNADIPIBSA-N
MW5228.09 g/mol
LogP44.43
Rot. Bonds85

About 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 158799803) has the molecular formula C213H193Cl9F27N67O22S11 and a molecular weight of 5228.09 g/mol. Its IUPAC name is 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID158799803
Molecular FormulaC213H193Cl9F27N67O22S11
Molecular Weight5228.09 g/mol
Exact Mass5219.97
IUPAC Name2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(N2CCN(C(=O)CN)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(N2CCNCC2=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ccn[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ccncn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ncccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2nccs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2nncs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCC(=NO)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCC[C@H]2CO)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/2C25H22ClF3N8O2S.C24H24ClF3N8O3S.C24H22ClF3N8O2S.C24H21ClF3N7O2S2.C23H20ClF3N8O2S2.C23H21ClF3N7O3S.C23H22ClF3N6O3S.C22H19ClF3N7O3S/c1-14(8-18(38)17-10-21(36-13-35-17)32-5-2-4-20-30-6-3-7-31-20)24-34-12-19(40-24)23(39)37-22-9-15(25(27,28)29)16(26)11-33-22;1-14(7-19(38)18-9-21(36-13-35-18)31-5-2-3-15-4-6-30-12-34-15)24-33-11-20(40-24)23(39)37-22-8-16(25(27,28)29)17(26)10-32-22;1-13(6-17(37)16-8-20(33-12-32-16)35-2-4-36(5-3-35)21(38)9-29)23-31-11-18(40-23)22(39)34-19-7-14(24(26,27)28)15(25)10-30-19;1-13(7-18(37)17-9-20(33-12-32-17)29-5-2-3-14-4-6-34-36-14)23-31-11-19(39-23)22(38)35-21-8-15(24(26,27)28)16(25)10-30-21;1-13(7-17(36)16-9-19(34-12-33-16)29-4-2-3-21-30-5-6-38-21)23-32-11-18(39-23)22(37)35-20-8-14(24(26,27)28)15(25)10-31-20;1-12(5-16(36)15-7-18(32-10-31-15)28-4-2-3-20-35-33-11-38-20)22-30-9-17(39-22)21(37)34-19-6-13(23(25,26)27)14(24)8-29-19;1-12(6-17(35)16-8-20(31-11-30-16)34-4-2-13(33-37)3-5-34)22-29-10-18(38-22)21(36)32-19-7-14(23(25,26)27)15(24)9-28-19;1-12(5-17(35)16-7-20(31-11-30-16)33-4-2-3-13(33)10-34)22-29-9-18(37-22)21(36)32-19-6-14(23(25,26)27)15(24)8-28-19;1-11(4-15(34)14-6-18(31-10-30-14)33-3-2-27-9-19(33)35)21-29-8-16(37-21)20(36)32-17-5-12(22(24,25)26)13(23)7-28-17/h3,6-7,9-14H,2,4-5,8H2,1H3,(H,32,35,36)(H,33,37,39);4,6,8-14H,2-3,5,7H2,1H3,(H,31,35,36)(H,32,37,39);7-8,10-13H,2-6,9,29H2,1H3,(H,30,34,39);4,6,8-13H,2-3,5,7H2,1H3,(H,34,36)(H,29,32,33)(H,30,35,38);5-6,8-13H,2-4,7H2,1H3,(H,29,33,34)(H,31,35,37);6-12H,2-5H2,1H3,(H,28,31,32)(H,29,34,37);7-12,37H,2-6H2,1H3,(H,28,32,36);6-9,11-13,34H,2-5,10H2,1H3,(H,28,32,36);5-8,10-11,27H,2-4,9H2,1H3,(H,28,32,36)/t;;;;;;12-;12-,13-;/m......00./s1
InChIKeyITILEFDRCAKWDM-ZNADIPIBSA-N
XLogP44.43
TPSA1199.84 Ų
H-Bond Donors19
H-Bond Acceptors88
Rotatable Bonds85
Heavy Atoms349
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005228.09
LogP ≤ 544.43
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1088

Analyze 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (CID 158799803) is 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(N2CCN(C(=O)CN)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(N2CCNCC2=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ccn[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ccncn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2ncccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2nccs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCc2nncs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCC(=NO)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCC[C@H]2CO)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ITILEFDRCAKWDM-ZNADIPIBSA-N. The full InChI is InChI=1S/2C25H22ClF3N8O2S.C24H24ClF3N8O3S.C24H22ClF3N8O2S.C24H21ClF3N7O2S2.C23H20ClF3N8O2S2.C23H21ClF3N7O3S.C23H22ClF3N6O3S.C22H19ClF3N7O3S/c1-14(8-18(38)17-10-21(36-13-35-17)32-5-2-4-20-30-6-3-7-31-20)24-34-12-19(40-24)23(39)37-22-9-15(25(27,28)29)16(26)11-33-22;1-14(7-19(38)18-9-21(36-13-35-18)31-5-2-3-15-4-6-30-12-34-15)24-33-11-20(40-24)23(39)37-22-8-16(25(27,28)29)17(26)10-32-22;1-13(6-17(37)16-8-20(33-12-32-16)35-2-4-36(5-3-35)21(38)9-29)23-31-11-18(40-23)22(39)34-19-7-14(24(26,27)28)15(25)10-30-19;1-13(7-18(37)17-9-20(33-12-32-17)29-5-2-3-14-4-6-34-36-14)23-31-11-19(39-23)22(38)35-21-8-15(24(26,27)28)16(25)10-30-21;1-13(7-17(36)16-9-19(34-12-33-16)29-4-2-3-21-30-5-6-38-21)23-32-11-18(39-23)22(37)35-20-8-14(24(26,27)28)15(25)10-31-20;1-12(5-16(36)15-7-18(32-10-31-15)28-4-2-3-20-35-33-11-38-20)22-30-9-17(39-22)21(37)34-19-6-13(23(25,26)27)14(24)8-29-19;1-12(6-17(35)16-8-20(31-11-30-16)34-4-2-13(33-37)3-5-34)22-29-10-18(38-22)21(36)32-19-7-14(23(25,26)27)15(24)9-28-19;1-12(5-17(35)16-7-20(31-11-30-16)33-4-2-3-13(33)10-34)22-29-9-18(37-22)21(36)32-19-6-14(23(25,26)27)15(24)8-28-19;1-11(4-15(34)14-6-18(31-10-30-14)33-3-2-27-9-19(33)35)21-29-8-16(37-21)20(36)32-17-5-12(22(24,25)26)13(23)7-28-17/h3,6-7,9-14H,2,4-5,8H2,1H3,(H,32,35,36)(H,33,37,39);4,6,8-14H,2-3,5,7H2,1H3,(H,31,35,36)(H,32,37,39);7-8,10-13H,2-6,9,29H2,1H3,(H,30,34,39);4,6,8-13H,2-3,5,7H2,1H3,(H,34,36)(H,29,32,33)(H,30,35,38);5-6,8-13H,2-4,7H2,1H3,(H,29,33,34)(H,31,35,37);6-12H,2-5H2,1H3,(H,28,31,32)(H,29,34,37);7-12,37H,2-6H2,1H3,(H,28,32,36);6-9,11-13,34H,2-5,10H2,1H3,(H,28,32,36);5-8,10-11,27H,2-4,9H2,1H3,(H,28,32,36)/t;;;;;;12-;12-,13-;/m......00./s1.
What are the key properties of 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 5228.09 g/mol, XLogP of 44.43, 85 rotatable bonds, 19 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxyiminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-oxopiperazin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1H-pyrazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-2-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrimidin-4-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3,4-thiadiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-[3-(1,3-thiazol-2-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158799803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).