2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one

C131H132ClF15N38O14S — CID 160778152

IUPAC2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
SMILESCN(C)Cc1c(N)ncnc1C(=O)CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CNCc1c(N)ncnc1C(=O)CCc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)on1.CNCc1c(N)ncnc1C(=O)C[C@@H](C)c1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)on1.CNCc1c(N)ncnc1C(=O)C[C@@H](C)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.CNCc1c(N)ncnc1C(=O)C[C@H](C)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.CNCc1c(N)ncnc1C(=O)C[C@H](C)c1cc(C2=Nc3ccc(C4(C)CC4)nc3C2)no1
InChIInChI=1S/C24H27N7O2.C22H23F3N6O3.2C22H21F3N6O2.C21H21F3N6O3.C20H19ClF3N7O2S/c1-13(8-19(32)22-14(11-26-3)23(25)28-12-27-22)20-10-18(31-33-20)17-9-16-15(29-17)4-5-21(30-16)24(2)6-7-24;1-11-4-5-13(7-15(11)22(23,24)25)30-21(33)18-8-16(31-34-18)12(2)6-17(32)19-14(9-27-3)20(26)29-10-28-19;1-11(5-18(32)20-14(9-27-2)21(26)29-10-28-20)16-8-19(33-31-16)17-7-12-6-13(22(23,24)25)3-4-15(12)30-17;1-11(5-18(32)20-14(9-27-2)21(26)29-10-28-20)19-8-17(31-33-19)16-7-12-6-13(22(23,24)25)3-4-15(12)30-16;1-11-3-4-12(7-15(11)21(22,23)24)29-20(32)17-8-13(30-33-17)5-6-16(31)18-14(9-26-2)19(25)28-10-27-18;1-31(2)8-10-17(28-9-29-18(10)25)13(32)3-4-16-27-7-14(34-16)19(33)30-15-5-11(20(22,23)24)12(21)6-26-15/h4-5,10,12-13,26H,6-9,11H2,1-3H3,(H2,25,27,28);4-5,7-8,10,12,27H,6,9H2,1-3H3,(H,30,33)(H2,26,28,29);2*3-4,6,8,10-11,27H,5,7,9H2,1-2H3,(H2,26,28,29);3-4,7-8,10,26H,5-6,9H2,1-2H3,(H,29,32)(H2,25,27,28);5-7,9H,3-4,8H2,1-2H3,(H2,25,28,29)(H,26,30,33)/t13-;12-;2*11-;;/m0101../s1
InChIKeySAFMFKCARIUENA-WWHBQDDFSA-N
MW2815.24 g/mol
LogP21.54
Rot. Bonds46

About 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one

2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one (PubChem CID 160778152) has the molecular formula C131H132ClF15N38O14S and a molecular weight of 2815.24 g/mol. Its IUPAC name is 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one.

Molecular Properties

Compound Name2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
PubChem CID160778152
Molecular FormulaC131H132ClF15N38O14S
Molecular Weight2815.24 g/mol
Exact Mass2813.00
IUPAC Name2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
SMILESCN(C)Cc1c(N)ncnc1C(=O)CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CNCc1c(N)ncnc1C(=O)CCc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)on1.CNCc1c(N)ncnc1C(=O)C[C@@H](C)c1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)on1.CNCc1c(N)ncnc1C(=O)C[C@@H](C)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.CNCc1c(N)ncnc1C(=O)C[C@H](C)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.CNCc1c(N)ncnc1C(=O)C[C@H](C)c1cc(C2=Nc3ccc(C4(C)CC4)nc3C2)no1
InChIInChI=1S/C24H27N7O2.C22H23F3N6O3.2C22H21F3N6O2.C21H21F3N6O3.C20H19ClF3N7O2S/c1-13(8-19(32)22-14(11-26-3)23(25)28-12-27-22)20-10-18(31-33-20)17-9-16-15(29-17)4-5-21(30-16)24(2)6-7-24;1-11-4-5-13(7-15(11)22(23,24)25)30-21(33)18-8-16(31-34-18)12(2)6-17(32)19-14(9-27-3)20(26)29-10-28-19;1-11(5-18(32)20-14(9-27-2)21(26)29-10-28-20)16-8-19(33-31-16)17-7-12-6-13(22(23,24)25)3-4-15(12)30-17;1-11(5-18(32)20-14(9-27-2)21(26)29-10-28-20)19-8-17(31-33-19)16-7-12-6-13(22(23,24)25)3-4-15(12)30-16;1-11-3-4-12(7-15(11)21(22,23)24)29-20(32)17-8-13(30-33-17)5-6-16(31)18-14(9-26-2)19(25)28-10-27-18;1-31(2)8-10-17(28-9-29-18(10)25)13(32)3-4-16-27-7-14(34-16)19(33)30-15-5-11(20(22,23)24)12(21)6-26-15/h4-5,10,12-13,26H,6-9,11H2,1-3H3,(H2,25,27,28);4-5,7-8,10,12,27H,6,9H2,1-3H3,(H,30,33)(H2,26,28,29);2*3-4,6,8,10-11,27H,5,7,9H2,1-2H3,(H2,26,28,29);3-4,7-8,10,26H,5-6,9H2,1-2H3,(H,29,32)(H2,25,27,28);5-7,9H,3-4,8H2,1-2H3,(H2,25,28,29)(H,26,30,33)/t13-;12-;2*11-;;/m0101../s1
InChIKeySAFMFKCARIUENA-WWHBQDDFSA-N
XLogP21.54
TPSA769.81 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds46
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002815.24
LogP ≤ 521.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Analyze 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-tert-butyl-6-chloropyridazin-3-yl)-2-[4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-(4-tert-butyl-5-chloropyrimidin-2-yl)-2-[4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(5-chloro-6-methoxypyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(5-chloro-6-methoxypyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;3-[3-(5-chloro-6-methoxypyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-(5-chloro-6-methoxypyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-[5-chloro-6-(pyridin-4-ylamino)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
CID 158729117
(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one
CID 159788214
N-(6-tert-butylpyrimidin-4-yl)-2-[3-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-oxopropyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;3-[(2S)-4-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[4-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one
CID 161493448
2-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 148690297
2-[4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 153032585
3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 158106457
2-[4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 149277333
(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 147169915
(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
CID 157174002
(3S)-1-(6-pyridin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one
CID 148998186
N-(6-tert-butylpyrimidin-4-yl)-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-4-(6-morpholin-4-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(2S)-4-(6-morpholin-4-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,2-oxazole-5-carboxamide;N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 159983144
2-[4-(6-amino-5-bromopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 148966005

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
The IUPAC name of 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one (CID 160778152) is 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one.
What is the SMILES notation for 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
The canonical SMILES for 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one is CN(C)Cc1c(N)ncnc1C(=O)CCc1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CNCc1c(N)ncnc1C(=O)CCc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)on1.CNCc1c(N)ncnc1C(=O)C[C@@H](C)c1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)on1.CNCc1c(N)ncnc1C(=O)C[C@@H](C)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.CNCc1c(N)ncnc1C(=O)C[C@H](C)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.CNCc1c(N)ncnc1C(=O)C[C@H](C)c1cc(C2=Nc3ccc(C4(C)CC4)nc3C2)no1.
What is the InChIKey of 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
The InChIKey is SAFMFKCARIUENA-WWHBQDDFSA-N. The full InChI is InChI=1S/C24H27N7O2.C22H23F3N6O3.2C22H21F3N6O2.C21H21F3N6O3.C20H19ClF3N7O2S/c1-13(8-19(32)22-14(11-26-3)23(25)28-12-27-22)20-10-18(31-33-20)17-9-16-15(29-17)4-5-21(30-16)24(2)6-7-24;1-11-4-5-13(7-15(11)22(23,24)25)30-21(33)18-8-16(31-34-18)12(2)6-17(32)19-14(9-27-3)20(26)29-10-28-19;1-11(5-18(32)20-14(9-27-2)21(26)29-10-28-20)16-8-19(33-31-16)17-7-12-6-13(22(23,24)25)3-4-15(12)30-17;1-11(5-18(32)20-14(9-27-2)21(26)29-10-28-20)19-8-17(31-33-19)16-7-12-6-13(22(23,24)25)3-4-15(12)30-16;1-11-3-4-12(7-15(11)21(22,23)24)29-20(32)17-8-13(30-33-17)5-6-16(31)18-14(9-26-2)19(25)28-10-27-18;1-31(2)8-10-17(28-9-29-18(10)25)13(32)3-4-16-27-7-14(34-16)19(33)30-15-5-11(20(22,23)24)12(21)6-26-15/h4-5,10,12-13,26H,6-9,11H2,1-3H3,(H2,25,27,28);4-5,7-8,10,12,27H,6,9H2,1-3H3,(H,30,33)(H2,26,28,29);2*3-4,6,8,10-11,27H,5,7,9H2,1-2H3,(H2,26,28,29);3-4,7-8,10,26H,5-6,9H2,1-2H3,(H,29,32)(H2,25,27,28);5-7,9H,3-4,8H2,1-2H3,(H2,25,28,29)(H,26,30,33)/t13-;12-;2*11-;;/m0101../s1.
What are the key properties of 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one has a molecular weight of 2815.24 g/mol, XLogP of 21.54, 46 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-amino-5-[(dimethylamino)methyl]pyrimidin-4-yl]-3-oxopropyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(methylaminomethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one is sourced from PubChem (CID 160778152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).