2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C104H98F13N23O6S — CID 158687426

About 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158687426) has the molecular formula C104H98F13N23O6S and a molecular weight of 2045.12 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 158687426
• Molecular Formula: C104H98F13N23O6S
• Molecular Weight: 2045.12 g/mol
• Exact Mass: 2043.76
• IUPAC Name: 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: C.C.C.C.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1c(F)cc(-c3nc(C(F)(F)F)cn3C)cc1F)C(=O)C2.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)F)cn3C)cc1)C(=O)C2.Cc1cc(F)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4OC(F)F)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4S(C)=O)nc32)cc1
• InChI: InChI=1S/C26H21F5N6O.C26H24F2N6O.C25H20F3N5O2S.C23H17F3N6O2.4CH4/c1-13(2)22-16(5-4-6-32-22)23-33-10-15-9-21(38)37(25(15)35-23)11-17-18(27)7-14(8-19(17)28)24-34-20(12-36(24)3)26(29,30)31;1-15(2)22-19(5-4-10-29-22)24-30-12-18-11-21(35)34(26(18)32-24)13-16-6-8-17(9-7-16)25-31-20(23(27)28)14-33(25)3;1-32-14-20(25(26,27)28)30-23(32)16-9-7-15(8-10-16)13-33-21(34)11-17-12-29-22(31-24(17)33)18-5-3-4-6-19(18)36(2)35;1-13-9-18(24)30-32(13)16-6-4-14(5-7-16)12-31-19(33)10-15-11-28-20(29-21(15)31)17-3-2-8-27-22(17)34-23(25)26;;;;/h4-8,10,12-13H,9,11H2,1-3H3;4-10,12,14-15,23H,11,13H2,1-3H3;3-10,12,14H,11,13H2,1-2H3;2-9,11,23H,10,12H2,1H3;4*1H4
• InChIKey: IFXLQSXLFPHLAY-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 320.61 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.12
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158687426) is 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is C.C.C.C.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1c(F)cc(-c3nc(C(F)(F)F)cn3C)cc1F)C(=O)C2.CC(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)F)cn3C)cc1)C(=O)C2.Cc1cc(F)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4OC(F)F)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4S(C)=O)nc32)cc1.

What is the InChIKey of 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is IFXLQSXLFPHLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N6O.C26H24F2N6O.C25H20F3N5O2S.C23H17F3N6O2.4CH4/c1-13(2)22-16(5-4-6-32-22)23-33-10-15-9-21(38)37(25(15)35-23)11-17-18(27)7-14(8-19(17)28)24-34-20(12-36(24)3)26(29,30)31;1-15(2)22-19(5-4-10-29-22)24-30-12-18-11-21(35)34(26(18)32-24)13-16-6-8-17(9-7-16)25-31-20(23(27)28)14-33(25)3;1-32-14-20(25(26,27)28)30-23(32)16-9-7-15(8-10-16)13-33-21(34)11-17-12-29-22(31-24(17)33)18-5-3-4-6-19(18)36(2)35;1-13-9-18(24)30-32(13)16-6-4-14(5-7-16)12-31-19(33)10-15-11-28-20(29-21(15)31)17-3-2-8-27-22(17)34-23(25)26;;;;/h4-8,10,12-13H,9,11H2,1-3H3;4-10,12,14-15,23H,11,13H2,1-3H3;3-10,12,14H,11,13H2,1-2H3;2-9,11,23H,10,12H2,1H3;4*1H4.

What are the key properties of 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2045.12 g/mol, XLogP of 21.33, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158687426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).