(10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one

C150H149ClF2N32O21 — CID 159516472

IUPAC(10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
SMILESCC[C@@]12COCCC1Oc1ccc(-c3cncc(Cl)c3)cc1C21N=C(N)N(C)C1=O.CC[C@@]12COCCC1Oc1ccc(-c3cncnc3)cc1C21N=C(N)N(C)C1=O.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCOCC12F.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncnc3)ccc1OC1CCOCC12C
InChIInChI=1S/C23H22N4O3.C22H23ClN4O3.C22H21N5O3.C21H18FN5O3.C21H21FN4O3.C21H23N5O3.C20H21N5O3/c1-22-13-29-9-8-19(22)30-18-7-6-16(15-5-3-4-14(10-15)12-24)11-17(18)23(22)20(28)27(2)21(25)26-23;1-3-21-12-29-7-6-18(21)30-17-5-4-13(14-8-15(23)11-25-10-14)9-16(17)22(21)19(28)27(2)20(24)26-22;1-21-12-29-6-5-18(21)30-17-4-3-14(15-7-13(9-23)10-25-11-15)8-16(17)22(21)19(28)27(2)20(24)26-22;1-27-18(28)21(26-19(27)24)15-7-13(14-6-12(8-23)9-25-10-14)2-3-16(15)30-17-4-5-29-11-20(17,21)22;1-20-11-28-9-7-16(20)29-15-6-5-12(13-4-3-8-24-17(13)22)10-14(15)21(20)18(27)26(2)19(23)25-21;1-3-20-11-28-7-6-17(20)29-16-5-4-13(14-9-23-12-24-10-14)8-15(16)21(20)18(27)26(2)19(22)25-21;1-19-10-27-6-5-16(19)28-15-4-3-12(13-8-22-11-23-9-13)7-14(15)20(19)17(26)25(2)18(21)24-20/h3-7,10-11,19H,8-9,13H2,1-2H3,(H2,25,26);4-5,8-11,18H,3,6-7,12H2,1-2H3,(H2,24,26);3-4,7-8,10-11,18H,5-6,12H2,1-2H3,(H2,24,26);2-3,6-7,9-10,17H,4-5,11H2,1H3,(H2,24,26);3-6,8,10,16H,7,9,11H2,1-2H3,(H2,23,25);4-5,8-10,12,17H,3,6-7,11H2,1-2H3,(H2,22,25);3-4,7-9,11,16H,5-6,10H2,1-2H3,(H2,21,24)/t19?,22?,23-;18?,21-,22?;18?,21?,22-;17?,20?,21-;16?,20?,21-;17?,20-,21?;16?,19?,20-/m1111111/s1
InChIKeyMBGMAKCGAUJKOU-XWABJGOHSA-N
MW2809.49 g/mol
LogP13.71
Rot. Bonds9

About (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one

(10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one (PubChem CID 159516472) has the molecular formula C150H149ClF2N32O21 and a molecular weight of 2809.49 g/mol. Its IUPAC name is (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one.

Molecular Properties

Compound Name(10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
PubChem CID159516472
Molecular FormulaC150H149ClF2N32O21
Molecular Weight2809.49 g/mol
Exact Mass2807.12
IUPAC Name(10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
SMILESCC[C@@]12COCCC1Oc1ccc(-c3cncc(Cl)c3)cc1C21N=C(N)N(C)C1=O.CC[C@@]12COCCC1Oc1ccc(-c3cncnc3)cc1C21N=C(N)N(C)C1=O.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCOCC12F.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncnc3)ccc1OC1CCOCC12C
InChIInChI=1S/C23H22N4O3.C22H23ClN4O3.C22H21N5O3.C21H18FN5O3.C21H21FN4O3.C21H23N5O3.C20H21N5O3/c1-22-13-29-9-8-19(22)30-18-7-6-16(15-5-3-4-14(10-15)12-24)11-17(18)23(22)20(28)27(2)21(25)26-23;1-3-21-12-29-7-6-18(21)30-17-5-4-13(14-8-15(23)11-25-10-14)9-16(17)22(21)19(28)27(2)20(24)26-22;1-21-12-29-6-5-18(21)30-17-4-3-14(15-7-13(9-23)10-25-11-15)8-16(17)22(21)19(28)27(2)20(24)26-22;1-27-18(28)21(26-19(27)24)15-7-13(14-6-12(8-23)9-25-10-14)2-3-16(15)30-17-4-5-29-11-20(17,21)22;1-20-11-28-9-7-16(20)29-15-6-5-12(13-4-3-8-24-17(13)22)10-14(15)21(20)18(27)26(2)19(23)25-21;1-3-20-11-28-7-6-17(20)29-16-5-4-13(14-9-23-12-24-10-14)8-15(16)21(20)18(27)26(2)19(22)25-21;1-19-10-27-6-5-16(19)28-15-4-3-12(13-8-22-11-23-9-13)7-14(15)20(19)17(26)25(2)18(21)24-20/h3-7,10-11,19H,8-9,13H2,1-2H3,(H2,25,26);4-5,8-11,18H,3,6-7,12H2,1-2H3,(H2,24,26);3-4,7-8,10-11,18H,5-6,12H2,1-2H3,(H2,24,26);2-3,6-7,9-10,17H,4-5,11H2,1H3,(H2,24,26);3-6,8,10,16H,7,9,11H2,1-2H3,(H2,23,25);4-5,8-10,12,17H,3,6-7,11H2,1-2H3,(H2,22,25);3-4,7-9,11,16H,5-6,10H2,1-2H3,(H2,21,24)/t19?,22?,23-;18?,21-,22?;18?,21?,22-;17?,20?,21-;16?,20?,21-;17?,20-,21?;16?,19?,20-/m1111111/s1
InChIKeyMBGMAKCGAUJKOU-XWABJGOHSA-N
XLogP13.71
TPSA714.54 Ų
H-Bond Donors7
H-Bond Acceptors46
Rotatable Bonds9
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002809.49
LogP ≤ 513.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one?
The IUPAC name of (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one (CID 159516472) is (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one.
What is the SMILES notation for (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one?
The canonical SMILES for (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one is CC[C@@]12COCCC1Oc1ccc(-c3cncc(Cl)c3)cc1C21N=C(N)N(C)C1=O.CC[C@@]12COCCC1Oc1ccc(-c3cncnc3)cc1C21N=C(N)N(C)C1=O.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCOCC12C.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(C#N)c3)ccc1OC1CCOCC12F.CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncnc3)ccc1OC1CCOCC12C.
What is the InChIKey of (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one?
The InChIKey is MBGMAKCGAUJKOU-XWABJGOHSA-N. The full InChI is InChI=1S/C23H22N4O3.C22H23ClN4O3.C22H21N5O3.C21H18FN5O3.C21H21FN4O3.C21H23N5O3.C20H21N5O3/c1-22-13-29-9-8-19(22)30-18-7-6-16(15-5-3-4-14(10-15)12-24)11-17(18)23(22)20(28)27(2)21(25)26-23;1-3-21-12-29-7-6-18(21)30-17-5-4-13(14-8-15(23)11-25-10-14)9-16(17)22(21)19(28)27(2)20(24)26-22;1-21-12-29-6-5-18(21)30-17-4-3-14(15-7-13(9-23)10-25-11-15)8-16(17)22(21)19(28)27(2)20(24)26-22;1-27-18(28)21(26-19(27)24)15-7-13(14-6-12(8-23)9-25-10-14)2-3-16(15)30-17-4-5-29-11-20(17,21)22;1-20-11-28-9-7-16(20)29-15-6-5-12(13-4-3-8-24-17(13)22)10-14(15)21(20)18(27)26(2)19(23)25-21;1-3-20-11-28-7-6-17(20)29-16-5-4-13(14-9-23-12-24-10-14)8-15(16)21(20)18(27)26(2)19(22)25-21;1-19-10-27-6-5-16(19)28-15-4-3-12(13-8-22-11-23-9-13)7-14(15)20(19)17(26)25(2)18(21)24-20/h3-7,10-11,19H,8-9,13H2,1-2H3,(H2,25,26);4-5,8-11,18H,3,6-7,12H2,1-2H3,(H2,24,26);3-4,7-8,10-11,18H,5-6,12H2,1-2H3,(H2,24,26);2-3,6-7,9-10,17H,4-5,11H2,1H3,(H2,24,26);3-6,8,10,16H,7,9,11H2,1-2H3,(H2,23,25);4-5,8-10,12,17H,3,6-7,11H2,1-2H3,(H2,22,25);3-4,7-9,11,16H,5-6,10H2,1-2H3,(H2,21,24)/t19?,22?,23-;18?,21-,22?;18?,21?,22-;17?,20?,21-;16?,20?,21-;17?,20-,21?;16?,19?,20-/m1111111/s1.
What are the key properties of (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one?
(10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one has a molecular weight of 2809.49 g/mol, XLogP of 13.71, 9 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-2'-amino-10a-ethyl-3'-methyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;(10aR)-2'-amino-8-(5-chloro-3-pyridinyl)-10a-ethyl-3'-methylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;3-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile;5-[(10R)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-3',10a-dimethyl-8-pyrimidin-5-ylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one;5-[(10R)-2'-amino-10a-fluoro-1'-methyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]pyridine-3-carbonitrile;(10R)-2'-amino-8-(2-fluoro-3-pyridinyl)-3',10a-dimethylspiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,5'-imidazole]-4'-one is sourced from PubChem (CID 159516472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).