(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C197H167F30N75O16S4 — CID 160669838

IUPAC(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2nc(C3CC3)no2)O1.Cc1csc2c1CN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)CC2.Cc1nnc([C@@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@H](C)O2)o1.Cc1noc([C@@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@H](C)O2)n1.FC(F)(F)c1cn2c(-c3nccc(N4CCOC(c5ccccn5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCOC(c5cccnc5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCO[C@H](c5ccccn5)C4)n3)cnc2cn1.NS(=O)(=O)c1cc2c(s1)CCN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)C2.NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)o1.O=C(N[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1
InChIInChI=1S/C21H19F3N8O4S.C21H19F3N8O2.C20H18F3N9O.3C20H16F3N7O.2C19H17F3N8O2.C19H15F3N6S.C18H14F3N7O2S2/c22-21(23,24)15-11-32-13(8-28-17(32)9-27-15)19-26-6-5-16(30-19)31-7-1-2-12(10-31)29-20(33)14-3-4-18(36-14)37(25,34)35;1-11-8-31(9-14(33-11)20-29-18(30-34-20)12-2-3-12)16-4-5-25-19(28-16)13-6-27-17-7-26-15(10-32(13)17)21(22,23)24;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-4-3-16(30-18)31-5-1-2-13(10-31)29-19(33)12-6-27-28-7-12;21-20(22,23)16-12-30-14(9-27-18(30)10-26-16)19-25-5-3-17(28-19)29-6-7-31-15(11-29)13-2-1-4-24-8-13;2*21-20(22,23)16-12-30-14(9-27-18(30)10-26-16)19-25-6-4-17(28-19)29-7-8-31-15(11-29)13-3-1-2-5-24-13;1-10-7-29(8-13(31-10)18-28-27-11(2)32-18)15-3-4-23-17(26-15)12-5-25-16-6-24-14(9-30(12)16)19(20,21)22;1-10-7-29(8-13(31-10)18-26-11(2)28-32-18)15-3-4-23-17(27-15)12-5-25-16-6-24-14(9-30(12)16)19(20,21)22;1-11-10-29-14-3-5-27(8-12(11)14)16-2-4-23-18(26-16)13-6-25-17-7-24-15(9-28(13)17)19(20,21)22;19-18(20,21)13-9-28-11(6-25-15(28)7-24-13)17-23-3-1-14(26-17)27-4-2-12-10(8-27)5-16(31-12)32(22,29)30/h3-6,8-9,11-12H,1-2,7,10H2,(H,29,33)(H2,25,34,35);4-7,10-12,14H,2-3,8-9H2,1H3;3-4,6-9,11,13H,1-2,5,10H2,(H,27,28)(H,29,33);1-5,8-10,12,15H,6-7,11H2;2*1-6,9-10,12,15H,7-8,11H2;2*3-6,9-10,13H,7-8H2,1-2H3;2,4,6-7,9-10H,3,5,8H2,1H3;1,3,5-7,9H,2,4,8H2,(H2,22,29,30)/t12-;11-,14-;13-;;15-;;2*10-,13-;;/m101.0.00../s1
InChIKeyRMTZPMMDJKQWGO-RLQMELFUSA-N
MW4539.22 g/mol
LogP29.48
Rot. Bonds33

About (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 160669838) has the molecular formula C197H167F30N75O16S4 and a molecular weight of 4539.22 g/mol. Its IUPAC name is (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID160669838
Molecular FormulaC197H167F30N75O16S4
Molecular Weight4539.22 g/mol
Exact Mass4536.30
IUPAC Name(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2nc(C3CC3)no2)O1.Cc1csc2c1CN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)CC2.Cc1nnc([C@@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@H](C)O2)o1.Cc1noc([C@@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@H](C)O2)n1.FC(F)(F)c1cn2c(-c3nccc(N4CCOC(c5ccccn5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCOC(c5cccnc5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCO[C@H](c5ccccn5)C4)n3)cnc2cn1.NS(=O)(=O)c1cc2c(s1)CCN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)C2.NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)o1.O=C(N[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1
InChIInChI=1S/C21H19F3N8O4S.C21H19F3N8O2.C20H18F3N9O.3C20H16F3N7O.2C19H17F3N8O2.C19H15F3N6S.C18H14F3N7O2S2/c22-21(23,24)15-11-32-13(8-28-17(32)9-27-15)19-26-6-5-16(30-19)31-7-1-2-12(10-31)29-20(33)14-3-4-18(36-14)37(25,34)35;1-11-8-31(9-14(33-11)20-29-18(30-34-20)12-2-3-12)16-4-5-25-19(28-16)13-6-27-17-7-26-15(10-32(13)17)21(22,23)24;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-4-3-16(30-18)31-5-1-2-13(10-31)29-19(33)12-6-27-28-7-12;21-20(22,23)16-12-30-14(9-27-18(30)10-26-16)19-25-5-3-17(28-19)29-6-7-31-15(11-29)13-2-1-4-24-8-13;2*21-20(22,23)16-12-30-14(9-27-18(30)10-26-16)19-25-6-4-17(28-19)29-7-8-31-15(11-29)13-3-1-2-5-24-13;1-10-7-29(8-13(31-10)18-28-27-11(2)32-18)15-3-4-23-17(26-15)12-5-25-16-6-24-14(9-30(12)16)19(20,21)22;1-10-7-29(8-13(31-10)18-26-11(2)28-32-18)15-3-4-23-17(27-15)12-5-25-16-6-24-14(9-30(12)16)19(20,21)22;1-11-10-29-14-3-5-27(8-12(11)14)16-2-4-23-18(26-16)13-6-25-17-7-24-15(9-28(13)17)19(20,21)22;19-18(20,21)13-9-28-11(6-25-15(28)7-24-13)17-23-3-1-14(26-17)27-4-2-12-10(8-27)5-16(31-12)32(22,29)30/h3-6,8-9,11-12H,1-2,7,10H2,(H,29,33)(H2,25,34,35);4-7,10-12,14H,2-3,8-9H2,1H3;3-4,6-9,11,13H,1-2,5,10H2,(H,27,28)(H,29,33);1-5,8-10,12,15H,6-7,11H2;2*1-6,9-10,12,15H,7-8,11H2;2*3-6,9-10,13H,7-8H2,1-2H3;2,4,6-7,9-10H,3,5,8H2,1H3;1,3,5-7,9H,2,4,8H2,(H2,22,29,30)/t12-;11-,14-;13-;;15-;;2*10-,13-;;/m101.0.00../s1
InChIKeyRMTZPMMDJKQWGO-RLQMELFUSA-N
XLogP29.48
TPSA1023.25 Ų
H-Bond Donors5
H-Bond Acceptors88
Rotatable Bonds33
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004539.22
LogP ≤ 529.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1088

Analyze (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide with MolForge

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What is the IUPAC name of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 160669838) is (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is C[C@H]1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C[C@@H](c2nc(C3CC3)no2)O1.Cc1csc2c1CN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)CC2.Cc1nnc([C@@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@H](C)O2)o1.Cc1noc([C@@H]2CN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C[C@H](C)O2)n1.FC(F)(F)c1cn2c(-c3nccc(N4CCOC(c5ccccn5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCOC(c5cccnc5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCO[C@H](c5ccccn5)C4)n3)cnc2cn1.NS(=O)(=O)c1cc2c(s1)CCN(c1ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n1)C2.NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)o1.O=C(N[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1.
What is the InChIKey of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is RMTZPMMDJKQWGO-RLQMELFUSA-N. The full InChI is InChI=1S/C21H19F3N8O4S.C21H19F3N8O2.C20H18F3N9O.3C20H16F3N7O.2C19H17F3N8O2.C19H15F3N6S.C18H14F3N7O2S2/c22-21(23,24)15-11-32-13(8-28-17(32)9-27-15)19-26-6-5-16(30-19)31-7-1-2-12(10-31)29-20(33)14-3-4-18(36-14)37(25,34)35;1-11-8-31(9-14(33-11)20-29-18(30-34-20)12-2-3-12)16-4-5-25-19(28-16)13-6-27-17-7-26-15(10-32(13)17)21(22,23)24;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-4-3-16(30-18)31-5-1-2-13(10-31)29-19(33)12-6-27-28-7-12;21-20(22,23)16-12-30-14(9-27-18(30)10-26-16)19-25-5-3-17(28-19)29-6-7-31-15(11-29)13-2-1-4-24-8-13;2*21-20(22,23)16-12-30-14(9-27-18(30)10-26-16)19-25-6-4-17(28-19)29-7-8-31-15(11-29)13-3-1-2-5-24-13;1-10-7-29(8-13(31-10)18-28-27-11(2)32-18)15-3-4-23-17(26-15)12-5-25-16-6-24-14(9-30(12)16)19(20,21)22;1-10-7-29(8-13(31-10)18-26-11(2)28-32-18)15-3-4-23-17(27-15)12-5-25-16-6-24-14(9-30(12)16)19(20,21)22;1-11-10-29-14-3-5-27(8-12(11)14)16-2-4-23-18(26-16)13-6-25-17-7-24-15(9-28(13)17)19(20,21)22;19-18(20,21)13-9-28-11(6-25-15(28)7-24-13)17-23-3-1-14(26-17)27-4-2-12-10(8-27)5-16(31-12)32(22,29)30/h3-6,8-9,11-12H,1-2,7,10H2,(H,29,33)(H2,25,34,35);4-7,10-12,14H,2-3,8-9H2,1H3;3-4,6-9,11,13H,1-2,5,10H2,(H,27,28)(H,29,33);1-5,8-10,12,15H,6-7,11H2;2*1-6,9-10,12,15H,7-8,11H2;2*3-6,9-10,13H,7-8H2,1-2H3;2,4,6-7,9-10H,3,5,8H2,1H3;1,3,5-7,9H,2,4,8H2,(H2,22,29,30)/t12-;11-,14-;13-;;15-;;2*10-,13-;;/m101.0.00../s1.
What are the key properties of (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
(2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 4539.22 g/mol, XLogP of 29.48, 33 rotatable bonds, 5 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;(2S)-2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-2-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;2-pyridin-3-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;5-sulfamoyl-N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide;N-[(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 160669838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).