4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C294H405N63O36S12 — CID 158606375

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCc2n[nH]c(=O)[nH]2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCC2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@@H](O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C26H39N5O3S.C25H33N5O3S.2C25H35N5O3S.2C25H37N5O3S.3C24H31N5O3S.2C24H33N5O3S.C23H30N8O3S/c1-15-12-19(29-17(3)25(4,5)6)27-13-18(15)21-20(24(33)31-11-9-10-16(31)2)30-23(35-21)22(32)28-14-26(7,8)34;1-13(2)27-20-11-14(3)17(12-26-20)22-21(25(33)30-15-7-8-16(30)10-9-15)29-24(34-22)23(32)28-18-5-4-6-19(18)31;2*1-14-11-19(28-16(3)17-8-9-17)26-12-18(14)21-20(24(32)30-10-6-7-15(30)2)29-23(34-21)22(31)27-13-25(4,5)33;1-14(2)17(5)28-19-11-15(3)18(12-26-19)21-20(24(32)30-10-8-9-16(30)4)29-23(34-21)22(31)27-13-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;3*1-12(2)26-19-10-13(3)16(11-25-19)21-20(24(32)29-14-4-5-15(29)7-6-14)28-23(33-21)22(31)27-17-8-9-18(17)30;2*1-13(2)26-19-10-14(3)18(12-25-19)21-20(24(32)29-9-5-6-15(29)4)28-23(33-21)22(31)27-16-7-8-17(30)11-16;1-12-9-15(28-23(3,4)5)24-10-14(12)18-17(21(33)31-8-6-7-13(31)2)27-20(35-18)19(32)25-11-16-26-22(34)30-29-16/h12-13,16-17,34H,9-11,14H2,1-8H3,(H,27,29)(H,28,32);11-13,15-16,18-19,31H,4-10H2,1-3H3,(H,26,27)(H,28,32);2*11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);11-12,14,16-17,33H,8-10,13H2,1-7H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);3*10-12,14-15,17-18,30H,4-9H2,1-3H3,(H,25,26)(H,27,31);2*10,12-13,15-17,30H,5-9,11H2,1-4H3,(H,25,26)(H,27,31);9-10,13H,6-8,11H2,1-5H3,(H,24,28)(H,25,32)(H2,26,29,30,34)/t16-,17+;15?,16?,18-,19-;15-,16?;15-,16+;16-,17+;16-;2*14?,15?,17-,18-;;15-,16+,17+;15-,16-,17-;13-/m00000010.000/s1
InChIKeyHWGYHTGVHWDFAJ-QPHCOHJCSA-N
MW5782.68 g/mol
LogP44.22
Rot. Bonds81

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 158606375) has the molecular formula C294H405N63O36S12 and a molecular weight of 5782.68 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID158606375
Molecular FormulaC294H405N63O36S12
Molecular Weight5782.68 g/mol
Exact Mass5777.84
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCc2n[nH]c(=O)[nH]2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCC2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@@H](O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C
InChIInChI=1S/C26H39N5O3S.C25H33N5O3S.2C25H35N5O3S.2C25H37N5O3S.3C24H31N5O3S.2C24H33N5O3S.C23H30N8O3S/c1-15-12-19(29-17(3)25(4,5)6)27-13-18(15)21-20(24(33)31-11-9-10-16(31)2)30-23(35-21)22(32)28-14-26(7,8)34;1-13(2)27-20-11-14(3)17(12-26-20)22-21(25(33)30-15-7-8-16(30)10-9-15)29-24(34-22)23(32)28-18-5-4-6-19(18)31;2*1-14-11-19(28-16(3)17-8-9-17)26-12-18(14)21-20(24(32)30-10-6-7-15(30)2)29-23(34-21)22(31)27-13-25(4,5)33;1-14(2)17(5)28-19-11-15(3)18(12-26-19)21-20(24(32)30-10-8-9-16(30)4)29-23(34-21)22(31)27-13-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;3*1-12(2)26-19-10-13(3)16(11-25-19)21-20(24(32)29-14-4-5-15(29)7-6-14)28-23(33-21)22(31)27-17-8-9-18(17)30;2*1-13(2)26-19-10-14(3)18(12-25-19)21-20(24(32)29-9-5-6-15(29)4)28-23(33-21)22(31)27-16-7-8-17(30)11-16;1-12-9-15(28-23(3,4)5)24-10-14(12)18-17(21(33)31-8-6-7-13(31)2)27-20(35-18)19(32)25-11-16-26-22(34)30-29-16/h12-13,16-17,34H,9-11,14H2,1-8H3,(H,27,29)(H,28,32);11-13,15-16,18-19,31H,4-10H2,1-3H3,(H,26,27)(H,28,32);2*11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);11-12,14,16-17,33H,8-10,13H2,1-7H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);3*10-12,14-15,17-18,30H,4-9H2,1-3H3,(H,25,26)(H,27,31);2*10,12-13,15-17,30H,5-9,11H2,1-4H3,(H,25,26)(H,27,31);9-10,13H,6-8,11H2,1-5H3,(H,24,28)(H,25,32)(H2,26,29,30,34)/t16-,17+;15?,16?,18-,19-;15-,16?;15-,16+;16-,17+;16-;2*14?,15?,17-,18-;;15-,16+,17+;15-,16-,17-;13-/m00000010.000/s1
InChIKeyHWGYHTGVHWDFAJ-QPHCOHJCSA-N
XLogP44.22
TPSA1330.71 Ų
H-Bond Donors37
H-Bond Acceptors85
Rotatable Bonds81
Heavy Atoms405
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005782.68
LogP ≤ 544.22
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1085

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 158606375) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-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)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)NCc2n[nH]c(=O)[nH]2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)NC2CCC2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@@H](O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CCC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2CC[C@H](O)C2)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C(C)C)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC[C@@H]1C.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HWGYHTGVHWDFAJ-QPHCOHJCSA-N. The full InChI is InChI=1S/C26H39N5O3S.C25H33N5O3S.2C25H35N5O3S.2C25H37N5O3S.3C24H31N5O3S.2C24H33N5O3S.C23H30N8O3S/c1-15-12-19(29-17(3)25(4,5)6)27-13-18(15)21-20(24(33)31-11-9-10-16(31)2)30-23(35-21)22(32)28-14-26(7,8)34;1-13(2)27-20-11-14(3)17(12-26-20)22-21(25(33)30-15-7-8-16(30)10-9-15)29-24(34-22)23(32)28-18-5-4-6-19(18)31;2*1-14-11-19(28-16(3)17-8-9-17)26-12-18(14)21-20(24(32)30-10-6-7-15(30)2)29-23(34-21)22(31)27-13-25(4,5)33;1-14(2)17(5)28-19-11-15(3)18(12-26-19)21-20(24(32)30-10-8-9-16(30)4)29-23(34-21)22(31)27-13-25(6,7)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;3*1-12(2)26-19-10-13(3)16(11-25-19)21-20(24(32)29-14-4-5-15(29)7-6-14)28-23(33-21)22(31)27-17-8-9-18(17)30;2*1-13(2)26-19-10-14(3)18(12-25-19)21-20(24(32)29-9-5-6-15(29)4)28-23(33-21)22(31)27-16-7-8-17(30)11-16;1-12-9-15(28-23(3,4)5)24-10-14(12)18-17(21(33)31-8-6-7-13(31)2)27-20(35-18)19(32)25-11-16-26-22(34)30-29-16/h12-13,16-17,34H,9-11,14H2,1-8H3,(H,27,29)(H,28,32);11-13,15-16,18-19,31H,4-10H2,1-3H3,(H,26,27)(H,28,32);2*11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);11-12,14,16-17,33H,8-10,13H2,1-7H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);3*10-12,14-15,17-18,30H,4-9H2,1-3H3,(H,25,26)(H,27,31);2*10,12-13,15-17,30H,5-9,11H2,1-4H3,(H,25,26)(H,27,31);9-10,13H,6-8,11H2,1-5H3,(H,24,28)(H,25,32)(H2,26,29,30,34)/t16-,17+;15?,16?,18-,19-;15-,16?;15-,16+;16-,17+;16-;2*14?,15?,17-,18-;;15-,16+,17+;15-,16-,17-;13-/m00000010.000/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 5782.68 g/mol, XLogP of 44.22, 81 rotatable bonds, 37 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,2R)-2-hydroxycyclobutyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-(2-hydroxycyclobutyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(1-cyclopropylethylamino)-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158606375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).