(7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane

C136H135F15N28O5 — CID 158401617

IUPAC(7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
SMILESC.CCN1C(=O)c2nc(-c3ccc(-c4ccccc4)nc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(C(C)(F)F)nc3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)c(C#N)c3)n(Cc3ccc(F)cc3F)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)c(C(F)(F)F)c3)n(Cc3ccc(F)cc3F)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)cc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C(C)C)N=C12
InChIInChI=1S/C29H26F2N6O.C27H26F5N5O.C27H29F2N5O.C26H26F4N6O.C26H24F2N6O.CH4/c1-4-35-27(38)24-26(37-17-29(2,3)34-28(35)37)36(16-18-10-12-21(30)22(31)14-18)25(33-24)20-11-13-23(32-15-20)19-8-6-5-7-9-19;1-5-35-25(38)22-24(37-13-21(14(2)3)33-26(35)37)36(12-17-8-9-18(28)11-20(17)29)23(34-22)16-7-6-15(4)19(10-16)27(30,31)32;1-6-32-25(35)22-24(34-15-27(5,16(2)3)31-26(32)34)33(14-18-9-12-20(28)21(29)13-18)23(30-22)19-10-7-17(4)8-11-19;1-5-34-24(37)21-23(36-13-19(14(2)3)32-25(34)36)35(12-15-6-8-17(27)18(28)10-15)22(33-21)16-7-9-20(31-11-16)26(4,29)30;1-5-32-24(35)21-23(34-14-26(3,4)31-25(32)34)33(13-17-8-9-19(27)11-20(17)28)22(30-21)16-7-6-15(2)18(10-16)12-29;/h5-15H,4,16-17H2,1-3H3;6-11,14,21H,5,12-13H2,1-4H3;7-13,16H,6,14-15H2,1-5H3;6-11,14,19H,5,12-13H2,1-4H3;6-11H,5,13-14H2,1-4H3;1H4/t;21-;;19-;;/m.0.0../s1
InChIKeyGYECBDVXXRJRFA-ZOVGOTGISA-N
MW2526.74 g/mol
LogP26.68
Rot. Bonds25

About (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane

(7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane (PubChem CID 158401617) has the molecular formula C136H135F15N28O5 and a molecular weight of 2526.74 g/mol. Its IUPAC name is (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane.

Molecular Properties

Compound Name(7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
PubChem CID158401617
Molecular FormulaC136H135F15N28O5
Molecular Weight2526.74 g/mol
Exact Mass2525.09
IUPAC Name(7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
SMILESC.CCN1C(=O)c2nc(-c3ccc(-c4ccccc4)nc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(C(C)(F)F)nc3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)c(C#N)c3)n(Cc3ccc(F)cc3F)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)c(C(F)(F)F)c3)n(Cc3ccc(F)cc3F)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)cc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C(C)C)N=C12
InChIInChI=1S/C29H26F2N6O.C27H26F5N5O.C27H29F2N5O.C26H26F4N6O.C26H24F2N6O.CH4/c1-4-35-27(38)24-26(37-17-29(2,3)34-28(35)37)36(16-18-10-12-21(30)22(31)14-18)25(33-24)20-11-13-23(32-15-20)19-8-6-5-7-9-19;1-5-35-25(38)22-24(37-13-21(14(2)3)33-26(35)37)36(12-17-8-9-18(28)11-20(17)29)23(34-22)16-7-6-15(4)19(10-16)27(30,31)32;1-6-32-25(35)22-24(34-15-27(5,16(2)3)31-26(32)34)33(14-18-9-12-20(28)21(29)13-18)23(30-22)19-10-7-17(4)8-11-19;1-5-34-24(37)21-23(36-13-19(14(2)3)32-25(34)36)35(12-15-6-8-17(27)18(28)10-15)22(33-21)16-7-9-20(31-11-16)26(4,29)30;1-5-32-24(35)21-23(34-14-26(3,4)31-25(32)34)33(13-17-8-9-19(27)11-20(17)28)22(30-21)16-7-6-15(2)18(10-16)12-29;/h5-15H,4,16-17H2,1-3H3;6-11,14,21H,5,12-13H2,1-4H3;7-13,16H,6,14-15H2,1-5H3;6-11,14,19H,5,12-13H2,1-4H3;6-11H,5,13-14H2,1-4H3;1H4/t;21-;;19-;;/m.0.0../s1
InChIKeyGYECBDVXXRJRFA-ZOVGOTGISA-N
XLogP26.68
TPSA318.22 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002526.74
LogP ≤ 526.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane with MolForge

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Related Compounds

N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[(3Z)-4-[5-(4-cyanophenyl)-1-methylimidazol-2-yl]buta-1,3-dien-2-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 134505018
8-(dimethylamino)-3-(3H-inden-1-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-fluoropyridine-3-carbonitrile;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carboxamide;4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;8-(dimethylamino)-8-phenyl-3-(1-propan-2-ylindol-4-yl)-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 157093276
4-[8-Tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157145622
5-[3-(4-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212945
(3-Fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-5-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157287011
(4,5-Dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157367142
(6-Cyclopropylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-pyrrol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157508524
8-[4-[(4-Tert-butylphenyl)methyl]piperazin-1-yl]-3-methyl-7-[[2-(trifluoromethyl)phenyl]methyl]purine-2,6-dione;8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-7-[(3-fluorophenyl)methyl]-3-methylpurine-2,6-dione;8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione;2-[[8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-2,6-dioxopurin-7-yl]methyl]benzonitrile;8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-[[2-(trifluoromethyl)phenyl]methyl]purine-2,6-dione;7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione
CID 157555935
2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
(7R)-7-[(2S)-butan-2-yl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-7-cyclopropyl-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclohexane]-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-(4-methylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-5-(2-methoxyethyl)-2-(4-phenylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
CID 157697202
CID 157708815
CID 157708815
2-(2-cyclopropyl-3-pyridinyl)-7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methyl-2,3-dihydroindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157910478

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
The IUPAC name of (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane (CID 158401617) is (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane.
What is the SMILES notation for (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
The canonical SMILES for (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane is C.CCN1C(=O)c2nc(-c3ccc(-c4ccccc4)nc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(C(C)(F)F)nc3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)c(C#N)c3)n(Cc3ccc(F)cc3F)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)c(C(F)(F)F)c3)n(Cc3ccc(F)cc3F)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(C)cc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C(C)C)N=C12.
What is the InChIKey of (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
The InChIKey is GYECBDVXXRJRFA-ZOVGOTGISA-N. The full InChI is InChI=1S/C29H26F2N6O.C27H26F5N5O.C27H29F2N5O.C26H26F4N6O.C26H24F2N6O.CH4/c1-4-35-27(38)24-26(37-17-29(2,3)34-28(35)37)36(16-18-10-12-21(30)22(31)14-18)25(33-24)20-11-13-23(32-15-20)19-8-6-5-7-9-19;1-5-35-25(38)22-24(37-13-21(14(2)3)33-26(35)37)36(12-17-8-9-18(28)11-20(17)29)23(34-22)16-7-6-15(4)19(10-16)27(30,31)32;1-6-32-25(35)22-24(34-15-27(5,16(2)3)31-26(32)34)33(14-18-9-12-20(28)21(29)13-18)23(30-22)19-10-7-17(4)8-11-19;1-5-34-24(37)21-23(36-13-19(14(2)3)32-25(34)36)35(12-15-6-8-17(27)18(28)10-15)22(33-21)16-7-9-20(31-11-16)26(4,29)30;1-5-32-24(35)21-23(34-14-26(3,4)31-25(32)34)33(13-17-8-9-19(27)11-20(17)28)22(30-21)16-7-6-15(2)18(10-16)12-29;/h5-15H,4,16-17H2,1-3H3;6-11,14,21H,5,12-13H2,1-4H3;7-13,16H,6,14-15H2,1-5H3;6-11,14,19H,5,12-13H2,1-4H3;6-11H,5,13-14H2,1-4H3;1H4/t;21-;;19-;;/m.0.0../s1.
What are the key properties of (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
(7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane has a molecular weight of 2526.74 g/mol, XLogP of 26.68, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;5-[1-[(2,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-4-oxo-8H-imidazo[2,1-b]purin-2-yl]-2-methylbenzonitrile;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,7-dimethyl-2-(6-phenyl-3-pyridinyl)-8H-imidazo[2,1-b]purin-4-one;1-[(3,4-difluorophenyl)methyl]-5-ethyl-7-methyl-2-(4-methylphenyl)-7-propan-2-yl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane is sourced from PubChem (CID 158401617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).