(4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one

C145H141Cl2F9N30O14 — CID 159458326

About (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one

(4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one (PubChem CID 159458326) has the molecular formula C145H141Cl2F9N30O14 and a molecular weight of 2769.81 g/mol. Its IUPAC name is (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one.

Molecular Properties

• Compound Name: (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one
• PubChem CID: 159458326
• Molecular Formula: C145H141Cl2F9N30O14
• Molecular Weight: 2769.81 g/mol
• Exact Mass: 2767.05
• IUPAC Name: (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one
• SMILES: CN1C(=O)C2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CCCC[C@H]12.CN1C(=O)C2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCCC[C@@H]12.CN1C(=O)C2(N=C1N)c1cc(-c3cncnc3)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cncnc3)ccc1OC1CCCC[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1O[C@H]1CCCC[C@@H]12
• InChI: InChI=1S/C21H19ClF2N4O2.C21H21ClN4O2.C21H19F3N4O2.2C21H21FN4O2.C20H19F2N5O2.C20H21N5O2/c1-28-18(29)21(27-19(28)25)14-4-5-20(23,24)8-17(14)30-16-3-2-11(7-15(16)21)12-6-13(22)10-26-9-12;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;1-28-18(29)21(27-19(28)25)13-6-7-20(23,24)10-16(13)30-15-5-4-11(9-14(15)21)12-3-2-8-26-17(12)22;2*1-26-19(27)21(25-20(26)23)14-6-2-3-7-16(14)28-17-9-8-12(11-15(17)21)13-5-4-10-24-18(13)22;1-27-17(28)20(26-18(27)23)13-4-5-19(21,22)7-16(13)29-15-3-2-11(6-14(15)20)12-8-24-10-25-9-12;1-25-18(26)20(24-19(25)21)14-4-2-3-5-16(14)27-17-7-6-12(8-15(17)20)13-9-22-11-23-10-13/h2-3,6-7,9-10,14,17H,4-5,8H2,1H3,(H2,25,27);6-11,15,17H,2-5H2,1H3,(H2,23,25);2-5,8-9,13,16H,6-7,10H2,1H3,(H2,25,27);2*4-5,8-11,14,16H,2-3,6-7H2,1H3,(H2,23,25);2-3,6,8-10,13,16H,4-5,7H2,1H3,(H2,23,26);6-11,14,16H,2-5H2,1H3,(H2,21,24)/t;15-,17?,21?;;14-,16?,21?;14-,16-,21+;;14-,16?,20?/m.0.10.0/s1
• InChIKey: LUGOQIVWZPRJAQ-ZJAGUXKNSA-N
• XLogP: 20.02
• TPSA: 591.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 7
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.81
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?

The IUPAC name of (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one (CID 159458326) is (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one.

What is the SMILES notation for (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?

The canonical SMILES for (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one is CN1C(=O)C2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CCCC[C@H]12.CN1C(=O)C2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCCC[C@@H]12.CN1C(=O)C2(N=C1N)c1cc(-c3cncnc3)ccc1OC1CC(F)(F)CCC12.CN1C(=O)C2(N=C1N)c1cc(-c3cncnc3)ccc1OC1CCCC[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1O[C@H]1CCCC[C@@H]12.

What is the InChIKey of (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?

The InChIKey is LUGOQIVWZPRJAQ-ZJAGUXKNSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2.C21H21ClN4O2.C21H19F3N4O2.2C21H21FN4O2.C20H19F2N5O2.C20H21N5O2/c1-28-18(29)21(27-19(28)25)14-4-5-20(23,24)8-17(14)30-16-3-2-11(7-15(16)21)12-6-13(22)10-26-9-12;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;1-28-18(29)21(27-19(28)25)13-6-7-20(23,24)10-16(13)30-15-5-4-11(9-14(15)21)12-3-2-8-26-17(12)22;2*1-26-19(27)21(25-20(26)23)14-6-2-3-7-16(14)28-17-9-8-12(11-15(17)21)13-5-4-10-24-18(13)22;1-27-17(28)20(26-18(27)23)13-4-5-19(21,22)7-16(13)29-15-3-2-11(6-14(15)20)12-8-24-10-25-9-12;1-25-18(26)20(24-19(25)21)14-4-2-3-5-16(14)27-17-7-6-12(8-15(17)20)13-9-22-11-23-10-13/h2-3,6-7,9-10,14,17H,4-5,8H2,1H3,(H2,25,27);6-11,15,17H,2-5H2,1H3,(H2,23,25);2-5,8-9,13,16H,6-7,10H2,1H3,(H2,25,27);2*4-5,8-11,14,16H,2-3,6-7H2,1H3,(H2,23,25);2-3,6,8-10,13,16H,4-5,7H2,1H3,(H2,23,26);6-11,14,16H,2-5H2,1H3,(H2,21,24)/t;15-,17?,21?;;14-,16?,21?;14-,16-,21+;;14-,16?,20?/m.0.10.0/s1.

What are the key properties of (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one?

(4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one has a molecular weight of 2769.81 g/mol, XLogP of 20.02, 7 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,9R,9aR)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-7-(5-chloro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aS)-2'-amino-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(9aR)-2'-amino-3'-methyl-7-pyrimidin-5-ylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;2'-amino-7-(5-chloro-3-pyridinyl)-3,3-difluoro-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one;2'-amino-3,3-difluoro-3'-methyl-7-pyrimidin-5-ylspiro[2,4,4a,9a-tetrahydro-1H-xanthene-9,5'-imidazole]-4'-one is sourced from PubChem (CID 159458326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).