About 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 160953823) has the molecular formula C123H163F10N25O15S5
and a molecular weight of 2582.13 g/mol. Its IUPAC name is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 160953823) is 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CCC[C@@H]3O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.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)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1CC(F)(F)C[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1CC(F)(F)C[C@@H]1C.
What is the InChIKey of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is SWCRCTKPMMHVKH-HVZVGVKNSA-N. The full InChI is InChI=1S/C25H35F2N5O3S.2C25H33F2N5O3S.2C24H31F2N5O3S/c1-13-6-5-9-32(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;1-5-14(3)29-19-8-13(2)18(11-28-19)21-20(24(35)32-12-25(26,27)10-15(32)4)31-23(36-21)22(34)30-16-6-7-17(33)9-16;1-5-14(3)29-19-9-13(2)16(11-28-19)21-20(24(35)32-12-25(26,27)10-15(32)4)31-23(36-21)22(34)30-17-7-6-8-18(17)33;1-12(2)28-18-7-13(3)17(10-27-18)20-19(23(34)31-11-24(25,26)9-14(31)4)30-22(35-20)21(33)29-15-5-6-16(32)8-15;1-12(2)28-18-8-13(3)15(10-27-18)20-19(23(34)31-11-24(25,26)9-14(31)4)30-22(35-20)21(33)29-16-6-5-7-17(16)32/h11-15,21,24,33,35H,5-10H2,1-4H3,(H,28,31)(H,29,34);8,11,14-17,33H,5-7,9-10,12H2,1-4H3,(H,28,29)(H,30,34);9,11,14-15,17-18,33H,5-8,10,12H2,1-4H3,(H,28,29)(H,30,34);7,10,12,14-16,32H,5-6,8-9,11H2,1-4H3,(H,27,28)(H,29,33);8,10,12,14,16-17,32H,5-7,9,11H2,1-4H3,(H,27,28)(H,29,33)/t13-,14-,15-,24?;14-,15+,16+,17+;14-,15+,17+,18+;14-,15-,16-;14-,16-,17-/m01100/s1.
What are the key properties of 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2582.13 g/mol, XLogP of 20.64, 33 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 160953823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).