About (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 157141681) has the molecular formula C122H136Cl6F9N37O3S6
and a molecular weight of 2744.79 g/mol. Its IUPAC name is (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
Frequently Asked Questions
What is the IUPAC name of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 157141681) is (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CCC1CC2CN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2C1.CNC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)CC1.CNC1CC2CN(c3ncc(Sc4cccc(Cl)c4Cl)c4nccn34)CC2C1.C[C@@H]1OCC2(CCN(c3ncc(Sc4cc(N)ncc4C(F)(F)F)c4ncc(Cl)n34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4cc(N)ncc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4ccc(N)nc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is AKGJSLZWKYIFBS-KJHLUTICSA-N. The full InChI is InChI=1S/C21H22Cl2N4S.C21H23ClF3N7OS.2C21H24F3N7OS.C20H21Cl2N5S.C18H22ClN7S/c1-2-13-8-14-11-26(12-15(14)9-13)21-25-10-18(20-24-6-7-27(20)21)28-17-5-3-4-16(22)19(17)23;1-11-17(27)20(10-33-11)2-4-31(5-3-20)19-30-8-14(18-29-9-15(22)32(18)19)34-13-6-16(26)28-7-12(13)21(23,24)25;1-12-17(26)20(11-32-12)2-5-30(6-3-20)19-29-10-15(18-27-4-7-31(18)19)33-14-8-16(25)28-9-13(14)21(22,23)24;1-12-16(26)20(11-32-12)4-7-30(8-5-20)19-28-10-14(18-27-6-9-31(18)19)33-13-2-3-15(25)29-17(13)21(22,23)24;1-23-14-7-12-10-26(11-13(12)8-14)20-25-9-17(19-24-5-6-27(19)20)28-16-4-2-3-15(21)18(16)22;1-18(21-2)4-8-25(9-5-18)17-24-11-13(16-23-7-10-26(16)17)27-12-3-6-22-15(20)14(12)19/h3-7,10,13-15H,2,8-9,11-12H2,1H3;6-9,11,17H,2-5,10,27H2,1H3,(H2,26,28);4,7-10,12,17H,2-3,5-6,11,26H2,1H3,(H2,25,28);2-3,6,9-10,12,16H,4-5,7-8,11,26H2,1H3,(H2,25,29);2-6,9,12-14,23H,7-8,10-11H2,1H3;3,6-7,10-11,21H,4-5,8-9H2,1-2H3,(H2,20,22)/t;11-,17+;12-,17+;12-,16+;;/m.000../s1.
What are the key properties of (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 2744.79 g/mol, XLogP of 24.05, 21 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-chloroimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;3-chloro-4-[5-[4-methyl-4-(methylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(5-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[1,2-c]pyrimidine;2-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 157141681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).