(10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile

C151H147Cl3F3N29O21 — CID 159774067

About (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile

(10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile (PubChem CID 159774067) has the molecular formula C151H147Cl3F3N29O21 and a molecular weight of 2867.37 g/mol. Its IUPAC name is (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile
• PubChem CID: 159774067
• Molecular Formula: C151H147Cl3F3N29O21
• Molecular Weight: 2867.37 g/mol
• Exact Mass: 2864.03
• IUPAC Name: (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile
• SMILES: CCO[C@H]1CCC2Oc3ccc(-c4cccnc4F)cc3[C@]3(N=C(N)N(C)C3=O)[C@H]2C1.CN1C(=O)[C@@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CC[C@H](OCC3CC3)C[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCCO[C@@H]12
• InChI: InChI=1S/C26H27N5O3.C23H25FN4O3.C21H19ClFN3O3.C21H19N5O3.2C20H19ClN4O3.C20H19FN4O3/c1-31-24(32)26(30-25(31)28)20-9-17(18-8-16(11-27)12-29-13-18)4-6-22(20)34-23-7-5-19(10-21(23)26)33-14-15-2-3-15;1-3-30-14-7-9-19-17(12-14)23(21(29)28(2)22(25)27-23)16-11-13(6-8-18(16)31-19)15-5-4-10-26-20(15)24;1-26-19(27)21(25-20(26)24)15-9-11(12-7-13(22)10-14(23)8-12)4-5-16(15)29-17-3-2-6-28-18(17)21;1-26-19(27)21(25-20(26)23)15-8-13(14-7-12(9-22)10-24-11-14)4-5-16(15)29-17-3-2-6-28-18(17)21;2*1-25-18(26)20(24-19(25)22)14-8-11(12-7-13(21)10-23-9-12)4-5-15(14)28-16-3-2-6-27-17(16)20;1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h4,6,8-9,12-13,15,19,21,23H,2-3,5,7,10,14H2,1H3,(H2,28,30);4-6,8,10-11,14,17,19H,3,7,9,12H2,1-2H3,(H2,25,27);4-5,7-10,17-18H,2-3,6H2,1H3,(H2,24,25);4-5,7-8,10-11,17-18H,2-3,6H2,1H3,(H2,23,25);2*4-5,7-10,16-17H,2-3,6H2,1H3,(H2,22,24);2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t19-,21-,23?,26-;14-,17-,19?,23-;2*17?,18-,21-;16?,17-,20+;16?,17-,20-;15?,16-,20-/m0000000/s1
• InChIKey: NGMQRIMVNZYOLQ-MCUWZSMFSA-N
• XLogP: 16.86
• TPSA: 664.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 12
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2867.37
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile?

The IUPAC name of (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile (CID 159774067) is (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile.

What is the SMILES notation for (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile?

The canonical SMILES for (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile is CCO[C@H]1CCC2Oc3ccc(-c4cccnc4F)cc3[C@]3(N=C(N)N(C)C3=O)[C@H]2C1.CN1C(=O)[C@@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCCO[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CC[C@H](OCC3CC3)C[C@@H]12.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC1CCCO[C@@H]12.

What is the InChIKey of (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile?

The InChIKey is NGMQRIMVNZYOLQ-MCUWZSMFSA-N. The full InChI is InChI=1S/C26H27N5O3.C23H25FN4O3.C21H19ClFN3O3.C21H19N5O3.2C20H19ClN4O3.C20H19FN4O3/c1-31-24(32)26(30-25(31)28)20-9-17(18-8-16(11-27)12-29-13-18)4-6-22(20)34-23-7-5-19(10-21(23)26)33-14-15-2-3-15;1-3-30-14-7-9-19-17(12-14)23(21(29)28(2)22(25)27-23)16-11-13(6-8-18(16)31-19)15-5-4-10-26-20(15)24;1-26-19(27)21(25-20(26)24)15-9-11(12-7-13(22)10-14(23)8-12)4-5-16(15)29-17-3-2-6-28-18(17)21;1-26-19(27)21(25-20(26)23)15-8-13(14-7-12(9-22)10-24-11-14)4-5-16(15)29-17-3-2-6-28-18(17)21;2*1-25-18(26)20(24-19(25)22)14-8-11(12-7-13(21)10-23-9-12)4-5-15(14)28-16-3-2-6-27-17(16)20;1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h4,6,8-9,12-13,15,19,21,23H,2-3,5,7,10,14H2,1H3,(H2,28,30);4-6,8,10-11,14,17,19H,3,7,9,12H2,1-2H3,(H2,25,27);4-5,7-10,17-18H,2-3,6H2,1H3,(H2,24,25);4-5,7-8,10-11,17-18H,2-3,6H2,1H3,(H2,23,25);2*4-5,7-10,16-17H,2-3,6H2,1H3,(H2,22,24);2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t19-,21-,23?,26-;14-,17-,19?,23-;2*17?,18-,21-;16?,17-,20+;16?,17-,20-;15?,16-,20-/m0000000/s1.

What are the key properties of (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile?

(10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile has a molecular weight of 2867.37 g/mol, XLogP of 16.86, 12 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,10aR)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;(10R,10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(7S,8aR,9R)-2'-amino-7-(cyclopropylmethoxy)-1'-methyl-5'-oxospiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-imidazole]-2-yl]pyridine-3-carbonitrile;(2S,9R,9aR)-2'-amino-2-ethoxy-7-(2-fluoro-3-pyridinyl)-3'-methylspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,5'-imidazole]-4'-one;(10S,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,5'-imidazole]-4'-one;5-[(10S,10aR)-2'-amino-1'-methyl-5'-oxospiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 159774067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).