About (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one
(10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one (PubChem CID 158703031) has the molecular formula C140H139Cl6F6N19O15
and a molecular weight of 2654.48 g/mol. Its IUPAC name is (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one.
Frequently Asked Questions
What is the IUPAC name of (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
The IUPAC name of (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one (CID 158703031) is (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one.
What is the SMILES notation for (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
The canonical SMILES for (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one is C=C1CCC2C(C1)Oc1ccc(-c3cc(F)cc(Cl)c3)cc1C21N=C(N)N(C)C1=O.CCOC1CCC2C(C1)Oc1ccc(-c3cc(F)cc(Cl)c3)cc1C21N=C(N)N(C)C1=O.CN1C(=O)C2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CC(OCC3CC3)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CCCC[C@H]12.CN1CCC2Oc3ccc(-c4cc(F)cc(Cl)c4)cc3C3(N=C(N)N(C)C3=O)[C@H]2C1.COC1CC[C@@H]2C(C1)Oc1ccc(-c3cc(F)cc(Cl)c3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
The InChIKey is IHTYEKNWJNBJSC-PFCYWWKWSA-N. The full InChI is InChI=1S/C26H27ClFN3O3.C24H25ClFN3O3.C23H23ClFN3O3.C23H21ClFN3O2.C22H22ClFN4O2.C22H21ClFN3O2/c1-31-24(32)26(30-25(31)29)20-6-5-19(33-13-14-2-3-14)12-23(20)34-22-7-4-15(10-21(22)26)16-8-17(27)11-18(28)9-16;1-3-31-17-5-6-18-21(12-17)32-20-7-4-13(14-8-15(25)11-16(26)9-14)10-19(20)24(18)22(30)29(2)23(27)28-24;1-28-21(29)23(27-22(28)26)17-5-4-16(30-2)11-20(17)31-19-6-3-12(9-18(19)23)13-7-14(24)10-15(25)8-13;1-12-3-5-17-20(7-12)30-19-6-4-13(14-8-15(24)11-16(25)9-14)10-18(19)23(17)21(29)28(2)22(26)27-23;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;1-27-20(28)22(26-21(27)25)16-4-2-3-5-18(16)29-19-7-6-12(10-17(19)22)13-8-14(23)11-15(24)9-13/h4,7-11,14,19-20,23H,2-3,5-6,12-13H2,1H3,(H2,29,30);4,7-11,17-18,21H,3,5-6,12H2,1-2H3,(H2,27,28);3,6-10,16-17,20H,4-5,11H2,1-2H3,(H2,26,27);4,6,8-11,17,20H,1,3,5,7H2,2H3,(H2,26,27);3-4,7-10,17,19H,5-6,11H2,1-2H3,(H2,25,26);6-11,16,18H,2-5H2,1H3,(H2,25,26)/t;;16?,17-,20?,23?;;17-,19?,22?;16-,18?,22?/m..1.01/s1.
What are the key properties of (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?
(10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one has a molecular weight of 2654.48 g/mol, XLogP of 23.45, 12 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-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-(3-chloro-5-fluorophenyl)-3-methoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-(cyclopropylmethoxy)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3-ethoxy-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methyl-3-methylidenespiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one is sourced from PubChem (CID 158703031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).