About (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
(7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane (PubChem CID 159052264) has the molecular formula C158H171F10N31O9
and a molecular weight of 2838.29 g/mol. Its IUPAC name is (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane.
Frequently Asked Questions
What is the IUPAC name of (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
The IUPAC name of (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane (CID 159052264) is (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane.
What is the SMILES notation for (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
The canonical SMILES for (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane is C.C.C.C.C.CCN1C(=O)c2nc(-c3ccc(-c4ccccc4)cc3)n(Cc3ccccc3)c2N2C[C@@H](c3ccccc3)N=C12.CCN1C(=O)c2nc(-c3ccc(-c4nnc(C)o4)cc3)n(Cc3ccc(F)cc3)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(F)c(-c4nc(C)no4)c3)n(Cc3ccc(F)cc3F)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(F)c(C(=O)N4CCCC4C)c3)n(Cc3ccc(F)cc3F)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(F)c(C(=O)N4CCCCC4C)c3)n(Cc3ccc(F)cc3F)c2N2C[C@@H](C(C)C)N=C12.
What is the InChIKey of (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
The InChIKey is JXKIFTYPIGEZPH-CVPQTQPGSA-N. The full InChI is InChI=1S/C34H29N5O.C32H35F3N6O2.C31H33F3N6O2.C28H26F3N7O2.C28H28FN7O2.5CH4/c1-2-37-33(40)30-32(39-23-29(35-34(37)39)27-16-10-5-11-17-27)38(22-24-12-6-3-7-13-24)31(36-30)28-20-18-26(19-21-28)25-14-8-4-9-15-25;1-5-38-31(43)27-29(41-17-26(18(2)3)36-32(38)41)40(16-21-9-11-22(33)15-25(21)35)28(37-27)20-10-12-24(34)23(14-20)30(42)39-13-7-6-8-19(39)4;1-5-37-30(42)26-28(40-16-25(17(2)3)35-31(37)40)39(15-20-8-10-21(32)14-24(20)34)27(36-26)19-9-11-23(33)22(13-19)29(41)38-12-6-7-18(38)4;1-5-36-27(39)23-26(38-13-22(14(2)3)33-28(36)38)37(12-17-6-8-18(29)11-21(17)31)24(34-23)16-7-9-20(30)19(10-16)25-32-15(4)35-40-25;1-5-34-27(37)23-26(36-15-22(16(2)3)30-28(34)36)35(14-18-6-12-21(29)13-7-18)24(31-23)19-8-10-20(11-9-19)25-33-32-17(4)38-25;;;;;/h3-21,29H,2,22-23H2,1H3;9-12,14-15,18-19,26H,5-8,13,16-17H2,1-4H3;8-11,13-14,17-18,25H,5-7,12,15-16H2,1-4H3;6-11,14,22H,5,12-13H2,1-4H3;6-13,16,22H,5,14-15H2,1-4H3;5*1H4/t29-;19?,26-;18?,25-;2*22-;;;;;/m00000...../s1.
What are the key properties of (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?
(7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane has a molecular weight of 2838.29 g/mol, XLogP of 30.68, 30 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-benzyl-5-ethyl-7-phenyl-2-(4-phenylphenyl)-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpiperidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(2-methylpyrrolidine-1-carbonyl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-5-ethyl-1-[(4-fluorophenyl)methyl]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane is sourced from PubChem (CID 159052264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).