About 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 161318925) has the molecular formula C118H151F10N25O13S5
and a molecular weight of 2477.98 g/mol. Its IUPAC name is 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 161318925) is 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CCNC(=O)c1nc(C(=O)N2CCC[C@@H]2C)c(-c2cnc(NC(C)(C)C)cc2C(F)(F)F)s1.C[C@H]1CCCN1C(=O)c1nc(C(N)=O)sc1-c1cnc(NC(C)(C)C)cc1C(F)(F)F.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)NC2CC(O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@H](C)C(C)(C)O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.
What is the InChIKey of 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is VJWMSXMCFGGBPN-NDDVRRCSSA-N. The full InChI is InChI=1S/C26H35F2N5O3S.C25H31F2N5O3S.C25H33N5O3S.C22H28F3N5O2S.C20H24F3N5O2S/c1-13-9-19(30-15(3)17-7-8-17)29-11-18(13)21-20(24(35)33-12-26(27,28)10-14(33)2)32-23(37-21)22(34)31-16(4)25(5,6)36;1-12-6-19(29-14(3)15-4-5-15)28-10-18(12)21-20(24(35)32-11-25(26,27)9-13(32)2)31-23(36-21)22(34)30-16-7-17(33)8-16;1-13-9-20(27-15(3)16-6-7-16)26-12-19(13)22-21(25(33)30-8-4-5-14(30)2)29-24(34-22)23(32)28-17-10-18(31)11-17;1-6-26-18(31)19-28-16(20(32)30-9-7-8-12(30)2)17(33-19)13-11-27-15(29-21(3,4)5)10-14(13)22(23,24)25;1-10-6-5-7-28(10)18(30)14-15(31-17(26-14)16(24)29)11-9-25-13(27-19(2,3)4)8-12(11)20(21,22)23/h9,11,14-17,36H,7-8,10,12H2,1-6H3,(H,29,30)(H,31,34);6,10,13-17,33H,4-5,7-9,11H2,1-3H3,(H,28,29)(H,30,34);9,12,14-18,31H,4-8,10-11H2,1-3H3,(H,26,27)(H,28,32);10-12H,6-9H2,1-5H3,(H,26,31)(H,27,29);8-10H,5-7H2,1-4H3,(H2,24,29)(H,25,27)/t14-,15+,16+;13-,14+,16?,17?;14-,15+,17?,18?;12-;10-/m00000/s1.
What are the key properties of 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2477.98 g/mol, XLogP of 20.90, 31 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 161318925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).