About 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one
2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one (PubChem CID 158395329) has the molecular formula C134H126Cl2F15N35O16S2
and a molecular weight of 2902.72 g/mol. Its IUPAC name is 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
The IUPAC name of 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one (CID 158395329) is 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one.
What is the SMILES notation for 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
The canonical SMILES for 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one is CC(CC(=O)c1ncnc(N)c1CN)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCOCC2)ncn1)c1cc(C2=Nc3cnc(C(C)(C)C)nc3C2)no1.C[C@H](CC(=O)c1cc(N2CCOCC2)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.C[C@H](CC(=O)c1cc(N2CCOCC2)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.NCc1c(N)ncnc1C(=O)CCc1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.O=C(CCc1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
The InChIKey is GXMBHBUPPUNDSS-DZPFHRSRSA-N. The full InChI is InChI=1S/C25H29N7O3.2C24H22F3N5O3.C23H20F3N5O3.C19H17ClF3N7O2S.C19H16ClF3N6O2S/c1-15(9-21(33)19-12-23(28-14-27-19)32-5-7-34-8-6-32)22-11-18(31-35-22)16-10-17-20(29-16)13-26-24(30-17)25(2,3)4;1-14(8-21(33)19-12-23(29-13-28-19)32-4-6-34-7-5-32)18-11-22(35-31-18)20-10-15-9-16(24(25,26)27)2-3-17(15)30-20;1-14(8-21(33)20-12-23(29-13-28-20)32-4-6-34-7-5-32)22-11-19(31-35-22)18-10-15-9-16(24(25,26)27)2-3-17(15)30-18;24-23(25,26)15-1-3-17-14(9-15)10-19(29-17)21-11-16(30-34-21)2-4-20(32)18-12-22(28-13-27-18)31-5-7-33-8-6-31;1-8(2-12(31)15-9(4-24)16(25)29-7-28-15)18-27-6-13(33-18)17(32)30-14-3-10(19(21,22)23)11(20)5-26-14;20-12-2-1-9(5-11(12)19(21,22)23)29-18(31)14-7-26-15(32-14)4-3-13(30)16-10(6-24)17(25)28-8-27-16/h11-15H,5-10H2,1-4H3;2*2-3,9,11-14H,4-8,10H2,1H3;1,3,9,11-13H,2,4-8,10H2;3,5-8H,2,4,24H2,1H3,(H2,25,28,29)(H,26,30,32);1-2,5,7-8H,3-4,6,24H2,(H,29,31)(H2,25,27,28)/t15-;2*14-;;;/m011.../s1.
What are the key properties of 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?
2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one has a molecular weight of 2902.72 g/mol, XLogP of 23.39, 38 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[6-amino-5-(aminomethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-(6-morpholin-4-ylpyrimidin-4-yl)butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one is sourced from PubChem (CID 158395329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).