2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one

C97H72ClF9N14O20S4 — CID 157446740

About 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one

2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 157446740) has the molecular formula C97H72ClF9N14O20S4 and a molecular weight of 2088.42 g/mol. Its IUPAC name is 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
• PubChem CID: 157446740
• Molecular Formula: C97H72ClF9N14O20S4
• Molecular Weight: 2088.42 g/mol
• Exact Mass: 2086.35
• IUPAC Name: 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
• SMILES: CN1C(=O)c2c(-c3ccco3)nc(S(C)(=O)=O)nc2C1Cc1ccccc1F.CN1C(=O)c2c(nc(S(C)(=O)=O)nc2-c2ccco2)/C1=C/c1ccc(F)cc1F.CN1C(=O)c2c(nc(S(C)(=O)=O)nc2-c2ccco2)/C1=C/c1ccccc1OC(F)(F)F.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3(C)Cc2ccccc2F)o1.Cc1ccc(-c2nc(S(C)(=O)=O)nc3c2C(=O)N(C)/C3=C\c2ccc(F)cc2F)o1
• InChI: InChI=1S/C20H14F3N3O5S.C20H15F2N3O4S.C19H14ClFN2O3.C19H13F2N3O4S.C19H16FN3O4S/c1-26-12(10-11-6-3-4-7-13(11)31-20(21,22)23)16-15(18(26)27)17(14-8-5-9-30-14)25-19(24-16)32(2,28)29;1-10-4-7-15(29-10)18-16-17(23-20(24-18)30(3,27)28)14(25(2)19(16)26)8-11-5-6-12(21)9-13(11)22;1-10-7-8-13(25-10)15-14-16(23-18(20)22-15)19(2,26-17(14)24)9-11-5-3-4-6-12(11)21;1-24-13(8-10-5-6-11(20)9-12(10)21)16-15(18(24)25)17(14-4-3-7-28-14)23-19(22-16)29(2,26)27;1-23-13(10-11-6-3-4-7-12(11)20)16-15(18(23)24)17(14-8-5-9-27-14)22-19(21-16)28(2,25)26/h3-10H,1-2H3;4-9H,1-3H3;3-8H,9H2,1-2H3;3-9H,1-2H3;3-9,13H,10H2,1-2H3/b12-10-;14-8-;;13-8-
• InChIKey: BSHUANAFCZEJMO-HWKNXYGPSA-N
• XLogP: 17.05
• TPSA: 447.93 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.42
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?

The IUPAC name of 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one (CID 157446740) is 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?

The canonical SMILES for 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one is CN1C(=O)c2c(-c3ccco3)nc(S(C)(=O)=O)nc2C1Cc1ccccc1F.CN1C(=O)c2c(nc(S(C)(=O)=O)nc2-c2ccco2)/C1=C/c1ccc(F)cc1F.CN1C(=O)c2c(nc(S(C)(=O)=O)nc2-c2ccco2)/C1=C/c1ccccc1OC(F)(F)F.Cc1ccc(-c2nc(Cl)nc3c2C(=O)OC3(C)Cc2ccccc2F)o1.Cc1ccc(-c2nc(S(C)(=O)=O)nc3c2C(=O)N(C)/C3=C\c2ccc(F)cc2F)o1.

What is the InChIKey of 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?

The InChIKey is BSHUANAFCZEJMO-HWKNXYGPSA-N. The full InChI is InChI=1S/C20H14F3N3O5S.C20H15F2N3O4S.C19H14ClFN2O3.C19H13F2N3O4S.C19H16FN3O4S/c1-26-12(10-11-6-3-4-7-13(11)31-20(21,22)23)16-15(18(26)27)17(14-8-5-9-30-14)25-19(24-16)32(2,28)29;1-10-4-7-15(29-10)18-16-17(23-20(24-18)30(3,27)28)14(25(2)19(16)26)8-11-5-6-12(21)9-13(11)22;1-10-7-8-13(25-10)15-14-16(23-18(20)22-15)19(2,26-17(14)24)9-11-5-3-4-6-12(11)21;1-24-13(8-10-5-6-11(20)9-12(10)21)16-15(18(24)25)17(14-4-3-7-28-14)23-19(22-16)29(2,26)27;1-23-13(10-11-6-3-4-7-12(11)20)16-15(18(23)24)17(14-8-5-9-27-14)22-19(21-16)28(2,25)26/h3-10H,1-2H3;4-9H,1-3H3;3-8H,9H2,1-2H3;3-9H,1-2H3;3-9,13H,10H2,1-2H3/b12-10-;14-8-;;13-8-;.

What are the key properties of 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one?

2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 2088.42 g/mol, XLogP of 17.05, 17 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-4-(furan-2-yl)-6-methyl-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;(7Z)-7-[(2,4-difluorophenyl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)-2-methylsulfonylpyrrolo[3,4-d]pyrimidin-5-one;7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7H-pyrrolo[3,4-d]pyrimidin-5-one;(7Z)-4-(furan-2-yl)-6-methyl-2-methylsulfonyl-7-[[2-(trifluoromethoxy)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 157446740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).