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

C133H146Cl5F12N41O12S6 — CID 159412339

IUPAC2-[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
SMILESCC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3ncnc(N)c3CN(C)C)s2)cc1C(F)(F)F
InChIInChI=1S/2C23H29ClN8O2S.2C22H22ClF3N6O2S.C22H23F3N6O2S.C21H21ClF3N7O2S/c1-12(7-15(33)17-13(10-32(5)6)19(25)29-11-28-17)21-26-9-16(35-21)20(34)31-22-27-8-14(24)18(30-22)23(2,3)4;1-12(7-15(33)18-13(10-32(5)6)20(25)28-11-27-18)22-26-9-16(35-22)21(34)29-17-8-14(23(2,3)4)19(24)31-30-17;1-11(6-16(33)18-13(9-32(2)3)19(27)30-10-29-18)21-28-8-17(35-21)20(34)31-12-4-5-15(23)14(7-12)22(24,25)26;1-11(6-16(33)18-13(9-32(2)3)19(27)30-10-29-18)21-28-8-17(35-21)20(34)31-12-4-5-14(15(23)7-12)22(24,25)26;1-12-4-5-13(8-15(12)22(23,24)25)30-21(33)17-9-27-18(34-17)7-6-16(32)19-14(10-31(2)3)20(26)29-11-28-19;1-10(4-14(33)17-11(8-32(2)3)18(26)30-9-29-17)20-28-7-15(35-20)19(34)31-16-5-12(21(23,24)25)13(22)6-27-16/h8-9,11-12H,7,10H2,1-6H3,(H2,25,28,29)(H,27,30,31,34);8-9,11-12H,7,10H2,1-6H3,(H2,25,27,28)(H,29,30,34);2*4-5,7-8,10-11H,6,9H2,1-3H3,(H,31,34)(H2,27,29,30);4-5,8-9,11H,6-7,10H2,1-3H3,(H,30,33)(H2,26,28,29);5-7,9-10H,4,8H2,1-3H3,(H2,26,29,30)(H,27,31,34)/t;;11-;;;10-/m..0..1/s1
InChIKeyLOSPEPWRWARNKI-RVSCIOICSA-N
MW3108.55 g/mol
LogP25.89
Rot. Bonds48

About 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

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 (PubChem CID 159412339) has the molecular formula C133H146Cl5F12N41O12S6 and a molecular weight of 3108.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159412339
Molecular FormulaC133H146Cl5F12N41O12S6
Molecular Weight3108.55 g/mol
Exact Mass3103.86
IUPAC Name2-[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
SMILESCC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3ncnc(N)c3CN(C)C)s2)cc1C(F)(F)F
InChIInChI=1S/2C23H29ClN8O2S.2C22H22ClF3N6O2S.C22H23F3N6O2S.C21H21ClF3N7O2S/c1-12(7-15(33)17-13(10-32(5)6)19(25)29-11-28-17)21-26-9-16(35-21)20(34)31-22-27-8-14(24)18(30-22)23(2,3)4;1-12(7-15(33)18-13(10-32(5)6)20(25)28-11-27-18)22-26-9-16(35-22)21(34)29-17-8-14(23(2,3)4)19(24)31-30-17;1-11(6-16(33)18-13(9-32(2)3)19(27)30-10-29-18)21-28-8-17(35-21)20(34)31-12-4-5-15(23)14(7-12)22(24,25)26;1-11(6-16(33)18-13(9-32(2)3)19(27)30-10-29-18)21-28-8-17(35-21)20(34)31-12-4-5-14(15(23)7-12)22(24,25)26;1-12-4-5-13(8-15(12)22(23,24)25)30-21(33)17-9-27-18(34-17)7-6-16(32)19-14(10-31(2)3)20(26)29-11-28-19;1-10(4-14(33)17-11(8-32(2)3)18(26)30-9-29-17)20-28-7-15(35-20)19(34)31-16-5-12(21(23,24)25)13(22)6-27-16/h8-9,11-12H,7,10H2,1-6H3,(H2,25,28,29)(H,27,30,31,34);8-9,11-12H,7,10H2,1-6H3,(H2,25,27,28)(H,29,30,34);2*4-5,7-8,10-11H,6,9H2,1-3H3,(H,31,34)(H2,27,29,30);4-5,8-9,11H,6-7,10H2,1-3H3,(H,30,33)(H2,26,28,29);5-7,9-10H,4,8H2,1-3H3,(H2,26,29,30)(H,27,31,34)/t;;11-;;;10-/m..0..1/s1
InChIKeyLOSPEPWRWARNKI-RVSCIOICSA-N
XLogP25.89
TPSA749.05 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds48
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003108.55
LogP ≤ 525.89
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Analyze 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 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-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1ncnc(N)c1CN(C)C)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3ncnc(N)c3CN(C)C)s2)cc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is LOSPEPWRWARNKI-RVSCIOICSA-N. The full InChI is InChI=1S/2C23H29ClN8O2S.2C22H22ClF3N6O2S.C22H23F3N6O2S.C21H21ClF3N7O2S/c1-12(7-15(33)17-13(10-32(5)6)19(25)29-11-28-17)21-26-9-16(35-21)20(34)31-22-27-8-14(24)18(30-22)23(2,3)4;1-12(7-15(33)18-13(10-32(5)6)20(25)28-11-27-18)22-26-9-16(35-22)21(34)29-17-8-14(23(2,3)4)19(24)31-30-17;1-11(6-16(33)18-13(9-32(2)3)19(27)30-10-29-18)21-28-8-17(35-21)20(34)31-12-4-5-15(23)14(7-12)22(24,25)26;1-11(6-16(33)18-13(9-32(2)3)19(27)30-10-29-18)21-28-8-17(35-21)20(34)31-12-4-5-14(15(23)7-12)22(24,25)26;1-12-4-5-13(8-15(12)22(23,24)25)30-21(33)17-9-27-18(34-17)7-6-16(32)19-14(10-31(2)3)20(26)29-11-28-19;1-10(4-14(33)17-11(8-32(2)3)18(26)30-9-29-17)20-28-7-15(35-20)19(34)31-16-5-12(21(23,24)25)13(22)6-27-16/h8-9,11-12H,7,10H2,1-6H3,(H2,25,28,29)(H,27,30,31,34);8-9,11-12H,7,10H2,1-6H3,(H2,25,27,28)(H,29,30,34);2*4-5,7-8,10-11H,6,9H2,1-3H3,(H,31,34)(H2,27,29,30);4-5,8-9,11H,6-7,10H2,1-3H3,(H,30,33)(H2,26,28,29);5-7,9-10H,4,8H2,1-3H3,(H2,26,29,30)(H,27,31,34)/t;;11-;;;10-/m..0..1/s1.
What are the key properties of 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?
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 has a molecular weight of 3108.55 g/mol, XLogP of 25.89, 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-[(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 is sourced from PubChem (CID 159412339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).