About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 157377418) has the molecular formula C127H167F6N25O17S7
and a molecular weight of 2654.35 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 157377418) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is C[C@H]1CC(F)(F)CN1C(=O)c1nc(C(=O)NC2CCS(=O)(=O)CC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.C[C@H]1CCCN1C(=O)c1nc(C(=O)N[C@@H]2CC[C@@H](O)C2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@@H](O)C2)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N[C@H](C)CO)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)NC2CCS(=O)(=O)CC2)nc1C(=O)N1C2CCC1CC2.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is BKMDNKLBRSUMGV-KGUHRNQDSA-N. The full InChI is InChI=1S/C27H35N5O4S2.C26H35N5O3S.C25H31F4N5O4S2.C25H33F2N5O3S.C24H33N5O3S/c1-15-13-22(29-16(2)17-3-4-17)28-14-21(15)24-23(27(34)32-19-5-6-20(32)8-7-19)31-26(37-24)25(33)30-18-9-11-38(35,36)12-10-18;1-14-11-20(30-26(2,3)4)27-13-19(14)22-21(25(34)31-16-6-7-17(31)9-8-16)29-24(35-22)23(33)28-15-5-10-18(32)12-15;1-13-10-25(28,29)12-34(13)23(36)18-19(16-11-30-17(33-24(2,3)4)9-15(16)20(26)27)39-22(32-18)21(35)31-14-5-7-40(37,38)8-6-14;1-13-6-5-9-32(13)24(35)19-20(36-23(30-19)22(34)29-14-7-8-15(33)10-14)17-12-28-18(31-25(2,3)4)11-16(17)21(26)27;1-13-10-18(28-24(3,4)5)25-11-17(13)20-19(23(32)29-15-6-7-16(29)9-8-15)27-22(33-20)21(31)26-14(2)12-30/h13-14,16-20H,3-12H2,1-2H3,(H,28,29)(H,30,33);11,13,15-18,32H,5-10,12H2,1-4H3,(H,27,30)(H,28,33);9,11,13-14,20H,5-8,10,12H2,1-4H3,(H,30,33)(H,31,35);11-15,21,33H,5-10H2,1-4H3,(H,28,31)(H,29,34);10-11,14-16,30H,6-9,12H2,1-5H3,(H,25,28)(H,26,31)/t16-,19?,20?;15-,16?,17?,18-;13-;13-,14+,15+;14-,15?,16?/m11001/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2654.35 g/mol, XLogP of 20.68, 30 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-[(2R)-1-hydroxypropan-2-yl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1,1-dioxothian-4-yl)-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157377418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).