2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C122H96F16N28O8S — CID 167568514

About 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167568514) has the molecular formula C122H96F16N28O8S and a molecular weight of 2418.33 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 167568514
• Molecular Formula: C122H96F16N28O8S
• Molecular Weight: 2418.33 g/mol
• Exact Mass: 2416.74
• IUPAC Name: 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: 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.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4S(C)=O)nc32)cc1.O=C1Cc2cnc(-c3ccccc3OC(F)F)nc2N1Cc1ccc(-n2ccc(F)n2)cc1.O=C1Cc2cnc(-c3cccnc3OC(F)F)nc2N1Cc1ccc(-n2ccc(F)n2)cc1
• InChI: InChI=1S/C26H21F5N6O.C26H24F2N6O.C25H20F3N5O2S.C23H16F3N5O2.C22H15F3N6O2/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;24-19-9-10-31(29-19)16-7-5-14(6-8-16)13-30-20(32)11-15-12-27-21(28-22(15)30)17-3-1-2-4-18(17)33-23(25)26;23-17-7-9-31(29-17)15-5-3-13(4-6-15)12-30-18(32)10-14-11-27-19(28-20(14)30)16-2-1-8-26-21(16)33-22(24)25/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;1-10,12,23H,11,13H2;1-9,11,22H,10,12H2
• InChIKey: FPBOAUKZJVLQJR-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 393.75 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2418.33
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167568514) is 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is 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.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4S(C)=O)nc32)cc1.O=C1Cc2cnc(-c3ccccc3OC(F)F)nc2N1Cc1ccc(-n2ccc(F)n2)cc1.O=C1Cc2cnc(-c3cccnc3OC(F)F)nc2N1Cc1ccc(-n2ccc(F)n2)cc1.

What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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 FPBOAUKZJVLQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N6O.C26H24F2N6O.C25H20F3N5O2S.C23H16F3N5O2.C22H15F3N6O2/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;24-19-9-10-31(29-19)16-7-5-14(6-8-16)13-30-20(32)11-15-12-27-21(28-22(15)30)17-3-1-2-4-18(17)33-23(25)26;23-17-7-9-31(29-17)15-5-3-13(4-6-15)12-30-18(32)10-14-11-27-19(28-20(14)30)16-2-1-8-26-21(16)33-22(24)25/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;1-10,12,23H,11,13H2;1-9,11,22H,10,12H2.

What are the key properties of 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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 2418.33 g/mol, XLogP of 22.64, 28 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-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;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 167568514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).