2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one

C133H124F4N24O17 — CID 158838584

IUPAC2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)O4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(F)(F)C4O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(F)(F)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)O4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CCC2)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CCC2)O4)n1
InChIInChI=1S/C24H24N4O2.C23H22N4O3.C22H20N4O3.C22H22N4O3.2C21H18F2N4O3/c1-15(2)27-10-9-25-22(27)19-5-3-6-21(26-19)28-14-17-11-16-13-24(7-4-8-24)30-20(16)12-18(17)23(28)29;1-14(2)26-10-9-24-21(26)17-5-3-6-20(25-17)27-13-15-11-18-19(12-16(15)22(27)28)30-23(29-18)7-4-8-23;1-13(2)25-9-8-23-20(25)16-4-3-5-19(24-16)26-12-14-10-17-18(11-15(14)21(26)27)29-22(28-17)6-7-22;1-13(2)25-9-8-23-20(25)16-6-5-7-19(24-16)26-12-14-10-17-18(11-15(14)21(26)27)29-22(3,4)28-17;1-12(2)26-7-6-24-19(26)15-4-3-5-18(25-15)27-10-13-8-16-17(9-14(13)20(27)28)30-21(22,23)11-29-16;1-11(2)26-7-6-24-19(26)15-4-3-5-17(25-15)27-10-12-8-14-16(9-13(12)20(27)29)30-21(22,23)18(14)28/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3;3,5-6,9-12,14H,4,7-8,13H2,1-2H3;3-5,8-11,13H,6-7,12H2,1-2H3;5-11,13H,12H2,1-4H3;3-9,12H,10-11H2,1-2H3;3-9,11,18,28H,10H2,1-2H3
InChIKeyIXYHXWNVKDLIKN-UHFFFAOYSA-N
MW2406.60 g/mol
LogP24.78
Rot. Bonds18

About 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one

2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one (PubChem CID 158838584) has the molecular formula C133H124F4N24O17 and a molecular weight of 2406.60 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one
PubChem CID158838584
Molecular FormulaC133H124F4N24O17
Molecular Weight2406.60 g/mol
Exact Mass2404.95
IUPAC Name2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)O4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(F)(F)C4O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(F)(F)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)O4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CCC2)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CCC2)O4)n1
InChIInChI=1S/C24H24N4O2.C23H22N4O3.C22H20N4O3.C22H22N4O3.2C21H18F2N4O3/c1-15(2)27-10-9-25-22(27)19-5-3-6-21(26-19)28-14-17-11-16-13-24(7-4-8-24)30-20(16)12-18(17)23(28)29;1-14(2)26-10-9-24-21(26)17-5-3-6-20(25-17)27-13-15-11-18-19(12-16(15)22(27)28)30-23(29-18)7-4-8-23;1-13(2)25-9-8-23-20(25)16-4-3-5-19(24-16)26-12-14-10-17-18(11-15(14)21(26)27)29-22(28-17)6-7-22;1-13(2)25-9-8-23-20(25)16-6-5-7-19(24-16)26-12-14-10-17-18(11-15(14)21(26)27)29-22(3,4)28-17;1-12(2)26-7-6-24-19(26)15-4-3-5-18(25-15)27-10-13-8-16-17(9-14(13)20(27)28)30-21(22,23)11-29-16;1-11(2)26-7-6-24-19(26)15-4-3-5-17(25-15)27-10-12-8-14-16(9-13(12)20(27)29)30-21(22,23)18(14)28/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3;3,5-6,9-12,14H,4,7-8,13H2,1-2H3;3-5,8-11,13H,6-7,12H2,1-2H3;5-11,13H,12H2,1-4H3;3-9,12H,10-11H2,1-2H3;3-9,11,18,28H,10H2,1-2H3
InChIKeyIXYHXWNVKDLIKN-UHFFFAOYSA-N
XLogP24.78
TPSA418.65 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.60
LogP ≤ 524.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one with MolForge

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Related Compounds

3,3-Dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one
CID 159194788
4-methoxy-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;bis(2-methyl-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid);bis(3-methyl-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid)
CID 159212155
N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
CID 159323376
[4-[1-(Cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 159404172
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide;3-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 160223886
[4-[1-(Cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 161595390

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one (CID 158838584) is 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one is CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)O4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(F)(F)C4O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(F)(F)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)O4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CCC2)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CCC2)O4)n1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one?
The InChIKey is IXYHXWNVKDLIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.C23H22N4O3.C22H20N4O3.C22H22N4O3.2C21H18F2N4O3/c1-15(2)27-10-9-25-22(27)19-5-3-6-21(26-19)28-14-17-11-16-13-24(7-4-8-24)30-20(16)12-18(17)23(28)29;1-14(2)26-10-9-24-21(26)17-5-3-6-20(25-17)27-13-15-11-18-19(12-16(15)22(27)28)30-23(29-18)7-4-8-23;1-13(2)25-9-8-23-20(25)16-4-3-5-19(24-16)26-12-14-10-17-18(11-15(14)21(26)27)29-22(28-17)6-7-22;1-13(2)25-9-8-23-20(25)16-6-5-7-19(24-16)26-12-14-10-17-18(11-15(14)21(26)27)29-22(3,4)28-17;1-12(2)26-7-6-24-19(26)15-4-3-5-18(25-15)27-10-13-8-16-17(9-14(13)20(27)28)30-21(22,23)11-29-16;1-11(2)26-7-6-24-19(26)15-4-3-5-17(25-15)27-10-12-8-14-16(9-13(12)20(27)29)30-21(22,23)18(14)28/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3;3,5-6,9-12,14H,4,7-8,13H2,1-2H3;3-5,8-11,13H,6-7,12H2,1-2H3;5-11,13H,12H2,1-4H3;3-9,12H,10-11H2,1-2H3;3-9,11,18,28H,10H2,1-2H3.
What are the key properties of 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one?
2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one has a molecular weight of 2406.60 g/mol, XLogP of 24.78, 18 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one is sourced from PubChem (CID 158838584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).