2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C145H158Cl5F12N41O12S6 — CID 158326358

IUPAC2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3ncnc(N)c3CN3CCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/2C25H31ClN8O2S.2C24H24ClF3N6O2S.C24H25F3N6O2S.C23H23ClF3N7O2S/c1-14(9-17(35)19-15(21(27)31-13-30-19)12-34-7-5-6-8-34)23-28-11-18(37-23)22(36)33-24-29-10-16(26)20(32-24)25(2,3)4;1-14(9-17(35)20-15(22(27)30-13-29-20)12-34-7-5-6-8-34)24-28-11-18(37-24)23(36)31-19-10-16(25(2,3)4)21(26)33-32-19;1-13(8-18(35)20-15(21(29)32-12-31-20)11-34-6-2-3-7-34)23-30-10-19(37-23)22(36)33-14-4-5-17(25)16(9-14)24(26,27)28;1-13(8-18(35)20-15(21(29)32-12-31-20)11-34-6-2-3-7-34)23-30-10-19(37-23)22(36)33-14-4-5-16(17(25)9-14)24(26,27)28;1-14-4-5-15(10-17(14)24(25,26)27)32-23(35)19-11-29-20(36-19)7-6-18(34)21-16(22(28)31-13-30-21)12-33-8-2-3-9-33;1-12(6-16(35)19-13(20(28)32-11-31-19)10-34-4-2-3-5-34)22-30-9-17(37-22)21(36)33-18-7-14(23(25,26)27)15(24)8-29-18/h10-11,13-14H,5-9,12H2,1-4H3,(H2,27,30,31)(H,29,32,33,36);10-11,13-14H,5-9,12H2,1-4H3,(H2,27,29,30)(H,31,32,36);2*4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,33,36)(H2,29,31,32);4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,32,35)(H2,28,30,31);7-9,11-12H,2-6,10H2,1H3,(H2,28,31,32)(H,29,33,36)/t;;13-;;;12-/m..0..1/s1
InChIKeyGPLNEWQWPPWONG-NFVHXCRRSA-N
MW3264.78 g/mol
LogP29.10
Rot. Bonds48

About 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 158326358) has the molecular formula C145H158Cl5F12N41O12S6 and a molecular weight of 3264.78 g/mol. Its IUPAC name is 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID158326358
Molecular FormulaC145H158Cl5F12N41O12S6
Molecular Weight3264.78 g/mol
Exact Mass3259.96
IUPAC Name2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3ncnc(N)c3CN3CCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/2C25H31ClN8O2S.2C24H24ClF3N6O2S.C24H25F3N6O2S.C23H23ClF3N7O2S/c1-14(9-17(35)19-15(21(27)31-13-30-19)12-34-7-5-6-8-34)23-28-11-18(37-23)22(36)33-24-29-10-16(26)20(32-24)25(2,3)4;1-14(9-17(35)20-15(22(27)30-13-29-20)12-34-7-5-6-8-34)24-28-11-18(37-24)23(36)31-19-10-16(25(2,3)4)21(26)33-32-19;1-13(8-18(35)20-15(21(29)32-12-31-20)11-34-6-2-3-7-34)23-30-10-19(37-23)22(36)33-14-4-5-17(25)16(9-14)24(26,27)28;1-13(8-18(35)20-15(21(29)32-12-31-20)11-34-6-2-3-7-34)23-30-10-19(37-23)22(36)33-14-4-5-16(17(25)9-14)24(26,27)28;1-14-4-5-15(10-17(14)24(25,26)27)32-23(35)19-11-29-20(36-19)7-6-18(34)21-16(22(28)31-13-30-21)12-33-8-2-3-9-33;1-12(6-16(35)19-13(20(28)32-11-31-19)10-34-4-2-3-5-34)22-30-9-17(37-22)21(36)33-18-7-14(23(25,26)27)15(24)8-29-18/h10-11,13-14H,5-9,12H2,1-4H3,(H2,27,30,31)(H,29,32,33,36);10-11,13-14H,5-9,12H2,1-4H3,(H2,27,29,30)(H,31,32,36);2*4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,33,36)(H2,29,31,32);4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,32,35)(H2,28,30,31);7-9,11-12H,2-6,10H2,1H3,(H2,28,31,32)(H,29,33,36)/t;;13-;;;12-/m..0..1/s1
InChIKeyGPLNEWQWPPWONG-NFVHXCRRSA-N
XLogP29.10
TPSA749.05 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds48
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003264.78
LogP ≤ 529.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Analyze 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[[[6-(2-aminoethylamino)-5-chloropyrimidine-4-carbonyl]amino]methyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-bromo-6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[[[6-(6-chloro-3-pyridinyl)pyrimidine-4-carbonyl]amino]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-oxo-3-[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]propyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 157229483
CID 157651129
CID 157651129
2-[4-[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopyrrolidin-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-[4-oxo-4-(6-piperazin-1-ylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 157709229
CID 157770422
CID 157770422
2-[4-[6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropylamino)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-[4-oxo-4-[6-(2-piperidin-4-ylethyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 158182407
2-[4-[6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropylamino)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-[4-oxo-4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 158243081
2-[4-[6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropylamino)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-[4-oxo-4-[6-(piperidin-4-ylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-piperidin-4-ylethyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 158434266
4-chloro-N-(4-chlorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;3,4-dichloro-N-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158946081
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-isocyano-1H-imidazol-5-yl)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrazin-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-(4H-pyrazol-3-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-pyridin-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-pyridin-3-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-(4H-triazol-5-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 159074132
CID 159078547
CID 159078547
CID 159278969
CID 159278969
2-[4-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 159412339

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 158326358) is 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3ncnc(N)c3CN3CCCC3)s2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GPLNEWQWPPWONG-NFVHXCRRSA-N. The full InChI is InChI=1S/2C25H31ClN8O2S.2C24H24ClF3N6O2S.C24H25F3N6O2S.C23H23ClF3N7O2S/c1-14(9-17(35)19-15(21(27)31-13-30-19)12-34-7-5-6-8-34)23-28-11-18(37-23)22(36)33-24-29-10-16(26)20(32-24)25(2,3)4;1-14(9-17(35)20-15(22(27)30-13-29-20)12-34-7-5-6-8-34)24-28-11-18(37-24)23(36)31-19-10-16(25(2,3)4)21(26)33-32-19;1-13(8-18(35)20-15(21(29)32-12-31-20)11-34-6-2-3-7-34)23-30-10-19(37-23)22(36)33-14-4-5-17(25)16(9-14)24(26,27)28;1-13(8-18(35)20-15(21(29)32-12-31-20)11-34-6-2-3-7-34)23-30-10-19(37-23)22(36)33-14-4-5-16(17(25)9-14)24(26,27)28;1-14-4-5-15(10-17(14)24(25,26)27)32-23(35)19-11-29-20(36-19)7-6-18(34)21-16(22(28)31-13-30-21)12-33-8-2-3-9-33;1-12(6-16(35)19-13(20(28)32-11-31-19)10-34-4-2-3-5-34)22-30-9-17(37-22)21(36)33-18-7-14(23(25,26)27)15(24)8-29-18/h10-11,13-14H,5-9,12H2,1-4H3,(H2,27,30,31)(H,29,32,33,36);10-11,13-14H,5-9,12H2,1-4H3,(H2,27,29,30)(H,31,32,36);2*4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,33,36)(H2,29,31,32);4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,32,35)(H2,28,30,31);7-9,11-12H,2-6,10H2,1H3,(H2,28,31,32)(H,29,33,36)/t;;13-;;;12-/m..0..1/s1.
What are the key properties of 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 3264.78 g/mol, XLogP of 29.10, 48 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158326358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).