N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one

C130H126Cl8F12N34O20S2 — CID 158001799

IUPACN-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one
SMILESCC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@H](CC(=O)c1ncnc(NCCO)c1Cl)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.Cc1ccc(NC(=O)c2cc(CCC(=O)c3ncnc(NCCO)c3Cl)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3ncnc(NCCO)c3Cl)no2)cc1C(F)(F)F.O=C(CCc1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1)c1ncnc(NCCO)c1Cl
InChIInChI=1S/2C22H25Cl2N7O3S.C22H21ClF3N5O4.C22H19ClF3N5O3.C21H19ClF3N5O4.C21H17ClF3N5O3/c1-11(7-13(33)16-15(24)18(25-5-6-32)29-10-28-16)20-26-9-14(35-20)19(34)31-21-27-8-12(23)17(30-21)22(2,3)4;1-11(7-13(33)17-16(23)19(25-5-6-32)28-10-27-17)21-26-9-14(35-21)20(34)29-15-8-12(22(2,3)4)18(24)31-30-15;1-11-3-4-13(8-14(11)22(24,25)26)30-21(34)17-9-15(31-35-17)12(2)7-16(33)19-18(23)20(27-5-6-32)29-10-28-19;1-11(6-17(33)20-19(23)21(27-4-5-32)29-10-28-20)18-9-16(31-34-18)15-8-12-7-13(22(24,25)26)2-3-14(12)30-15;1-11-2-3-12(8-14(11)21(23,24)25)29-20(33)16-9-13(30-34-16)4-5-15(32)18-17(22)19(26-6-7-31)28-10-27-18;22-18-19(27-10-28-20(18)26-5-6-31)16(32)4-2-13-9-17(33-30-13)15-8-11-7-12(21(23,24)25)1-3-14(11)29-15/h8-11,32H,5-7H2,1-4H3,(H,25,28,29)(H,27,30,31,34);8-11,32H,5-7H2,1-4H3,(H,25,27,28)(H,29,30,34);3-4,8-10,12,32H,5-7H2,1-2H3,(H,30,34)(H,27,28,29);2-3,7,9-11,32H,4-6,8H2,1H3,(H,27,28,29);2-3,8-10,31H,4-7H2,1H3,(H,29,33)(H,26,27,28);1,3,7,9-10,31H,2,4-6,8H2,(H,26,27,28)/t;;12-;11-;;/m..11../s1
InChIKeyFDUYXIMXUKFJMS-UJMDXIFDSA-N
MW3060.39 g/mol
LogP25.74
Rot. Bonds52

About N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one

N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one (PubChem CID 158001799) has the molecular formula C130H126Cl8F12N34O20S2 and a molecular weight of 3060.39 g/mol. Its IUPAC name is N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one.

Molecular Properties

Compound NameN-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one
PubChem CID158001799
Molecular FormulaC130H126Cl8F12N34O20S2
Molecular Weight3060.39 g/mol
Exact Mass3054.66
IUPAC NameN-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one
SMILESCC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@H](CC(=O)c1ncnc(NCCO)c1Cl)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.Cc1ccc(NC(=O)c2cc(CCC(=O)c3ncnc(NCCO)c3Cl)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3ncnc(NCCO)c3Cl)no2)cc1C(F)(F)F.O=C(CCc1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1)c1ncnc(NCCO)c1Cl
InChIInChI=1S/2C22H25Cl2N7O3S.C22H21ClF3N5O4.C22H19ClF3N5O3.C21H19ClF3N5O4.C21H17ClF3N5O3/c1-11(7-13(33)16-15(24)18(25-5-6-32)29-10-28-16)20-26-9-14(35-20)19(34)31-21-27-8-12(23)17(30-21)22(2,3)4;1-11(7-13(33)17-16(23)19(25-5-6-32)28-10-27-17)21-26-9-14(35-21)20(34)29-15-8-12(22(2,3)4)18(24)31-30-15;1-11-3-4-13(8-14(11)22(24,25)26)30-21(34)17-9-15(31-35-17)12(2)7-16(33)19-18(23)20(27-5-6-32)29-10-28-19;1-11(6-17(33)20-19(23)21(27-4-5-32)29-10-28-20)18-9-16(31-34-18)15-8-12-7-13(22(24,25)26)2-3-14(12)30-15;1-11-2-3-12(8-14(11)21(23,24)25)29-20(33)16-9-13(30-34-16)4-5-15(32)18-17(22)19(26-6-7-31)28-10-27-18;22-18-19(27-10-28-20(18)26-5-6-31)16(32)4-2-13-9-17(33-30-13)15-8-11-7-12(21(23,24)25)1-3-14(11)29-15/h8-11,32H,5-7H2,1-4H3,(H,25,28,29)(H,27,30,31,34);8-11,32H,5-7H2,1-4H3,(H,25,27,28)(H,29,30,34);3-4,8-10,12,32H,5-7H2,1-2H3,(H,30,34)(H,27,28,29);2-3,7,9-11,32H,4-6,8H2,1H3,(H,27,28,29);2-3,8-10,31H,4-7H2,1H3,(H,29,33)(H,26,27,28);1,3,7,9-10,31H,2,4-6,8H2,(H,26,27,28)/t;;12-;11-;;/m..11../s1
InChIKeyFDUYXIMXUKFJMS-UJMDXIFDSA-N
XLogP25.74
TPSA773.24 Ų
H-Bond Donors16
H-Bond Acceptors52
Rotatable Bonds52
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.39
LogP ≤ 525.74
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1052

Analyze N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;2-[3-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 157174000
CID 157177488
CID 157177488
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2R)-4-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;2-[3-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-(6-pyridin-3-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
CID 157264637
N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one
CID 157316463
CID 157682264
CID 157682264
N-(6-tert-butylpyrimidin-4-yl)-2-[3-oxo-3-(6-pyridin-4-ylpyrimidin-4-yl)propyl]-1,3-thiazole-5-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-oxo-4-(6-pyridin-4-ylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]-1-(6-pyridin-4-ylpyrimidin-4-yl)butan-1-one;N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(2S)-4-oxo-4-(6-pyridin-4-ylpyrimidin-4-yl)butan-2-yl]-1,2-oxazole-5-carboxamide;(3R)-1-(6-pyridin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one
CID 157726307
CID 157815004
CID 157815004
(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-1-one;N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-oxo-4-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(2S)-4-oxo-4-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-2-yl]-1,2-oxazole-5-carboxamide;(3S)-1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one
CID 157891638
N-(6-tert-butylpyrimidin-4-yl)-2-[4-oxo-4-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-4-oxo-4-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-oxo-4-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-oxo-4-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(1,2-oxazol-3-ylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
CID 157939573
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-4-oxo-4-(6-pyridin-3-ylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-oxo-4-(6-pyridin-3-ylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[3-oxo-3-(6-pyridin-3-ylpyrimidin-4-yl)propyl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-oxo-4-(6-pyridin-3-ylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-(6-pyridin-3-ylpyrimidin-4-yl)propyl]-1,3-thiazole-5-carboxamide;(3S)-1-(6-pyridin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
CID 157958293
CID 157974575
CID 157974575
N-(6-tert-butylpyrimidin-4-yl)-2-[4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2S)-4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[4-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one
CID 158004060

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
The IUPAC name of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one (CID 158001799) is N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one.
What is the SMILES notation for N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
The canonical SMILES for N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one is CC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(NCCO)c1Cl)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@H](CC(=O)c1ncnc(NCCO)c1Cl)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.Cc1ccc(NC(=O)c2cc(CCC(=O)c3ncnc(NCCO)c3Cl)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3ncnc(NCCO)c3Cl)no2)cc1C(F)(F)F.O=C(CCc1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1)c1ncnc(NCCO)c1Cl.
What is the InChIKey of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
The InChIKey is FDUYXIMXUKFJMS-UJMDXIFDSA-N. The full InChI is InChI=1S/2C22H25Cl2N7O3S.C22H21ClF3N5O4.C22H19ClF3N5O3.C21H19ClF3N5O4.C21H17ClF3N5O3/c1-11(7-13(33)16-15(24)18(25-5-6-32)29-10-28-16)20-26-9-14(35-20)19(34)31-21-27-8-12(23)17(30-21)22(2,3)4;1-11(7-13(33)17-16(23)19(25-5-6-32)28-10-27-17)21-26-9-14(35-21)20(34)29-15-8-12(22(2,3)4)18(24)31-30-15;1-11-3-4-13(8-14(11)22(24,25)26)30-21(34)17-9-15(31-35-17)12(2)7-16(33)19-18(23)20(27-5-6-32)29-10-28-19;1-11(6-17(33)20-19(23)21(27-4-5-32)29-10-28-20)18-9-16(31-34-18)15-8-12-7-13(22(24,25)26)2-3-14(12)30-15;1-11-2-3-12(8-14(11)21(23,24)25)29-20(33)16-9-13(30-34-16)4-5-15(32)18-17(22)19(26-6-7-31)28-10-27-18;22-18-19(27-10-28-20(18)26-5-6-31)16(32)4-2-13-9-17(33-30-13)15-8-11-7-12(21(23,24)25)1-3-14(11)29-15/h8-11,32H,5-7H2,1-4H3,(H,25,28,29)(H,27,30,31,34);8-11,32H,5-7H2,1-4H3,(H,25,27,28)(H,29,30,34);3-4,8-10,12,32H,5-7H2,1-2H3,(H,30,34)(H,27,28,29);2-3,7,9-11,32H,4-6,8H2,1H3,(H,27,28,29);2-3,8-10,31H,4-7H2,1H3,(H,29,33)(H,26,27,28);1,3,7,9-10,31H,2,4-6,8H2,(H,26,27,28)/t;;12-;11-;;/m..11../s1.
What are the key properties of N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one has a molecular weight of 3060.39 g/mol, XLogP of 25.74, 52 rotatable bonds, 16 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;1-[5-chloro-6-(2-hydroxyethylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one is sourced from PubChem (CID 158001799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).