7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C99H89F3N20O5 — CID 167617890

About 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167617890) has the molecular formula C99H89F3N20O5 and a molecular weight of 1695.93 g/mol. Its IUPAC name is 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 167617890
• Molecular Formula: C99H89F3N20O5
• Molecular Weight: 1695.93 g/mol
• Exact Mass: 1694.73
• IUPAC Name: 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C#N)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@H](C)c1ccc(-n3ccnn3)cc1)C(=O)C2.Cc1nnc(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)o1
• InChI: InChI=1S/C26H22F3N5O.C25H24N6O.C25H23N5O2.C23H20N4O/c1-16(2)20-5-3-4-6-21(20)24-30-14-18-13-23(35)33(25(18)31-24)15-17-7-9-19(10-8-17)34-12-11-22(32-34)26(27,28)29;1-16(2)21-6-4-5-7-22(21)24-26-15-19-14-23(32)31(25(19)28-24)17(3)18-8-10-20(11-9-18)30-13-12-27-29-30;1-15(2)20-6-4-5-7-21(20)23-26-13-19-12-22(31)30(24(19)27-23)14-17-8-10-18(11-9-17)25-29-28-16(3)32-25;1-15(2)19-5-3-4-6-20(19)22-25-13-18-11-21(28)27(23(18)26-22)14-17-9-7-16(12-24)8-10-17/h3-12,14,16H,13,15H2,1-2H3;4-13,15-17H,14H2,1-3H3;4-11,13,15H,12,14H2,1-3H3;3-10,13,15H,11,14H2,1-2H3/t;17-;;/m.1../s1
• InChIKey: LZZFBDQZZKSCPS-QSPMGRJTSA-N
• XLogP: 19.00
• TPSA: 295.60 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.93
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167617890) is 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C#N)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@H](C)c1ccc(-n3ccnn3)cc1)C(=O)C2.Cc1nnc(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)o1.

What is the InChIKey of 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is LZZFBDQZZKSCPS-QSPMGRJTSA-N. The full InChI is InChI=1S/C26H22F3N5O.C25H24N6O.C25H23N5O2.C23H20N4O/c1-16(2)20-5-3-4-6-21(20)24-30-14-18-13-23(35)33(25(18)31-24)15-17-7-9-19(10-8-17)34-12-11-22(32-34)26(27,28)29;1-16(2)21-6-4-5-7-22(21)24-26-15-19-14-23(32)31(25(19)28-24)17(3)18-8-10-20(11-9-18)30-13-12-27-29-30;1-15(2)20-6-4-5-7-21(20)23-26-13-19-12-22(31)30(24(19)27-23)14-17-8-10-18(11-9-17)25-29-28-16(3)32-25;1-15(2)19-5-3-4-6-20(19)22-25-13-18-11-21(28)27(23(18)26-22)14-17-9-7-16(12-24)8-10-17/h3-12,14,16H,13,15H2,1-2H3;4-13,15-17H,14H2,1-3H3;4-11,13,15H,12,14H2,1-3H3;3-10,13,15H,11,14H2,1-2H3/t;17-;;/m.1../s1.

What are the key properties of 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1695.93 g/mol, XLogP of 19.00, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 167617890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).