1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane

C107H106Cl2F12N24O6 — CID 161055092

About 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane

1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane (PubChem CID 161055092) has the molecular formula C107H106Cl2F12N24O6 and a molecular weight of 2123.07 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane.

Molecular Properties

• Compound Name: 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
• PubChem CID: 161055092
• Molecular Formula: C107H106Cl2F12N24O6
• Molecular Weight: 2123.07 g/mol
• Exact Mass: 2120.79
• IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
• SMILES: C.CCN1C(=O)c2nc(-c3ccc(C(C)(F)F)nc3)n(Cc3ccc(F)cc3F)c2N2CC3(CCC3)N=C12.CCN1C(=O)c2nc(-c3ccc(C)nc3)n(Cc3ccc(F)cc3Cl)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(F)c(-c4nc(C)no4)c3)n(Cc3ccc(F)c(Cl)c3)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(F)c(OCC(C)(F)F)c3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12
• InChI: InChI=1S/C28H28F5N5O2.C27H24ClF2N7O2.C26H24F4N6O.C25H26ClFN6O.CH4/c1-5-36-26(39)23-25(38-13-21(15(2)3)34-27(36)38)37(12-16-6-8-18(29)20(31)10-16)24(35-23)17-7-9-19(30)22(11-17)40-14-28(4,32)33;1-5-35-25(38)21-24(37-13-27(3,4)33-26(35)37)36(12-15-6-8-20(30)18(28)10-15)22(32-21)16-7-9-19(29)17(11-16)23-31-14(2)34-39-23;1-3-34-23(37)20-22(36-14-26(9-4-10-26)33-24(34)36)35(13-16-5-7-17(27)11-18(16)28)21(32-20)15-6-8-19(31-12-15)25(2,29)30;1-5-31-24(34)21-23(33-13-20(14(2)3)29-25(31)33)32(12-17-8-9-18(27)10-19(17)26)22(30-21)16-7-6-15(4)28-11-16;/h6-11,15,21H,5,12-14H2,1-4H3;6-11H,5,12-13H2,1-4H3;5-8,11-12H,3-4,9-10,13-14H2,1-2H3;6-11,14,20H,5,12-13H2,1-4H3;1H4/t21-;;;20-;/m0..0./s1
• InChIKey: UCQIONVYPBBTIS-XVYIFONYSA-N
• XLogP: 21.41
• TPSA: 288.85 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.07
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?

The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane (CID 161055092) is 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane.

What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?

The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane is C.CCN1C(=O)c2nc(-c3ccc(C(C)(F)F)nc3)n(Cc3ccc(F)cc3F)c2N2CC3(CCC3)N=C12.CCN1C(=O)c2nc(-c3ccc(C)nc3)n(Cc3ccc(F)cc3Cl)c2N2C[C@@H](C(C)C)N=C12.CCN1C(=O)c2nc(-c3ccc(F)c(-c4nc(C)no4)c3)n(Cc3ccc(F)c(Cl)c3)c2N2CC(C)(C)N=C12.CCN1C(=O)c2nc(-c3ccc(F)c(OCC(C)(F)F)c3)n(Cc3ccc(F)c(F)c3)c2N2C[C@@H](C(C)C)N=C12.

What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?

The InChIKey is UCQIONVYPBBTIS-XVYIFONYSA-N. The full InChI is InChI=1S/C28H28F5N5O2.C27H24ClF2N7O2.C26H24F4N6O.C25H26ClFN6O.CH4/c1-5-36-26(39)23-25(38-13-21(15(2)3)34-27(36)38)37(12-16-6-8-18(29)20(31)10-16)24(35-23)17-7-9-19(30)22(11-17)40-14-28(4,32)33;1-5-35-25(38)21-24(37-13-27(3,4)33-26(35)37)36(12-15-6-8-20(30)18(28)10-15)22(32-21)16-7-9-19(29)17(11-16)23-31-14(2)34-39-23;1-3-34-23(37)20-22(36-14-26(9-4-10-26)33-24(34)36)35(13-16-5-7-17(27)11-18(16)28)21(32-20)15-6-8-19(31-12-15)25(2,29)30;1-5-31-24(34)21-23(33-13-20(14(2)3)29-25(31)33)32(12-17-8-9-18(27)10-19(17)26)22(30-21)16-7-6-15(4)28-11-16;/h6-11,15,21H,5,12-14H2,1-4H3;6-11H,5,12-13H2,1-4H3;5-8,11-12H,3-4,9-10,13-14H2,1-2H3;6-11,14,20H,5,12-13H2,1-4H3;1H4/t21-;;;20-;/m0..0./s1.

What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane?

1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane has a molecular weight of 2123.07 g/mol, XLogP of 21.41, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2-[4-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-7,7-dimethyl-8H-imidazo[2,1-b]purin-4-one;(7R)-1-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-2-(6-methyl-3-pyridinyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(2,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclobutane]-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-2-[3-(2,2-difluoropropoxy)-4-fluorophenyl]-5-ethyl-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane is sourced from PubChem (CID 161055092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).