About (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one
(10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one (PubChem CID 158128742) has the molecular formula C130H123Cl4F10N21O14
and a molecular weight of 2535.34 g/mol. Its IUPAC name is (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one.
Frequently Asked Questions
What is the IUPAC name of (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
The IUPAC name of (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one (CID 158128742) is (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one.
What is the SMILES notation for (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
The canonical SMILES for (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one is CN1C(=O)C2(N=C1N)c1cc(-c3cccc(Cl)c3)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cccc(F)c3)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cccc(OC(F)F)c3)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCCC[C@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCOC[C@@H]12.CN1CCC2Oc3ccc(-c4cc(F)cc(Cl)c4)cc3C3(N=C(N)N(C)C3=O)[C@@H]2C1.
What is the InChIKey of (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
The InChIKey is FSMVFGANTWSSQG-LYXHQXHSSA-N. The full InChI is InChI=1S/C23H21F4N3O3.C22H20ClF2N3O2.C22H22ClFN4O2.C22H20F3N3O2.C21H21ClN4O2.C20H19ClN4O3/c1-30-19(31)23(29-21(30)28)15-7-8-22(26,27)11-18(15)33-17-6-5-13(10-16(17)23)12-3-2-4-14(9-12)32-20(24)25;1-28-19(29)22(27-20(28)26)15-7-8-21(24,25)11-18(15)30-17-6-5-13(10-16(17)22)12-3-2-4-14(23)9-12;1-27-6-5-19-17(11-27)22(20(29)28(2)21(25)26-22)16-9-12(3-4-18(16)30-19)13-7-14(23)10-15(24)8-13;1-28-19(29)22(27-20(28)26)15-7-8-21(24,25)11-18(15)30-17-6-5-13(10-16(17)22)12-3-2-4-14(23)9-12;1-26-19(27)21(25-20(26)23)15-4-2-3-5-17(15)28-18-7-6-12(9-16(18)21)13-8-14(22)11-24-10-13;1-25-18(26)20(24-19(25)22)14-7-11(12-6-13(21)9-23-8-12)2-3-16(14)28-17-4-5-27-10-15(17)20/h2-6,9-10,15,18,20H,7-8,11H2,1H3,(H2,28,29);2-6,9-10,15,18H,7-8,11H2,1H3,(H2,26,27);3-4,7-10,17,19H,5-6,11H2,1-2H3,(H2,25,26);2-6,9-10,15,18H,7-8,11H2,1H3,(H2,26,27);6-11,15,17H,2-5H2,1H3,(H2,23,25);2-3,6-9,15,17H,4-5,10H2,1H3,(H2,22,24)/t;;17-,19?,22?;;15-,17?,21?;15-,17?,20-/m..1.10/s1.
What are the key properties of (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
(10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one has a molecular weight of 2535.34 g/mol, XLogP of 20.35, 8 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-2,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-chromeno[3,2-c]pyridine-10,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10R,10aS)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;2'-amino-7-(3-chlorophenyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(3-fluorophenyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-7-[3-(difluoromethoxy)phenyl]-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one is sourced from PubChem (CID 158128742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).