7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one

C132H128F2N24O8 — CID 157103339

About 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one

7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 157103339) has the molecular formula C132H128F2N24O8 and a molecular weight of 2216.63 g/mol. Its IUPAC name is 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one
• PubChem CID: 157103339
• Molecular Formula: C132H128F2N24O8
• Molecular Weight: 2216.63 g/mol
• Exact Mass: 2215.03
• IUPAC Name: 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc3c(c1)CCN(C)C3=O)C(=O)C2.Cc1cc(C)n(-c2ccc([C@@H](C)N3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.Cc1cc(C)n(-c2ccc([C@H](C)N3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.Cc1nc(-c2ccc(CN3C(=O)Cc4cnc(-c5cccc(F)c5C(C)C)nc43)cc2)no1.Cc1nnc(-c2ccc(CN3C(=O)Cc4cnc(-c5cccc(F)c5C(C)C)nc43)cc2)o1
• InChI: InChI=1S/2C28H29N5O.C26H26N4O2.2C25H22FN5O2/c2*1-17(2)24-8-6-7-9-25(24)27-29-16-22-15-26(34)32(28(22)30-27)20(5)21-10-12-23(13-11-21)33-19(4)14-18(3)31-33;1-16(2)20-6-4-5-7-22(20)24-27-14-19-13-23(31)30(25(19)28-24)15-17-8-9-21-18(12-17)10-11-29(3)26(21)32;1-14(2)22-19(5-4-6-20(22)26)23-27-12-18-11-21(32)31(24(18)28-23)13-16-7-9-17(10-8-16)25-30-29-15(3)33-25;1-14(2)22-19(5-4-6-20(22)26)24-27-12-18-11-21(32)31(25(18)29-24)13-16-7-9-17(10-8-16)23-28-15(3)33-30-23/h2*6-14,16-17,20H,15H2,1-5H3;4-9,12,14,16H,10-11,13,15H2,1-3H3;2*4-10,12,14H,11,13H2,1-3H3/t2*20-;;;/m10.../s1
• InChIKey: AGACEKDWZDQOQT-VZNWRGHUSA-N
• XLogP: 25.13
• TPSA: 364.24 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.63
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one (CID 157103339) is 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one.

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

The canonical SMILES for 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc3c(c1)CCN(C)C3=O)C(=O)C2.Cc1cc(C)n(-c2ccc([C@@H](C)N3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.Cc1cc(C)n(-c2ccc([C@H](C)N3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.Cc1nc(-c2ccc(CN3C(=O)Cc4cnc(-c5cccc(F)c5C(C)C)nc43)cc2)no1.Cc1nnc(-c2ccc(CN3C(=O)Cc4cnc(-c5cccc(F)c5C(C)C)nc43)cc2)o1.

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

The InChIKey is AGACEKDWZDQOQT-VZNWRGHUSA-N. The full InChI is InChI=1S/2C28H29N5O.C26H26N4O2.2C25H22FN5O2/c2*1-17(2)24-8-6-7-9-25(24)27-29-16-22-15-26(34)32(28(22)30-27)20(5)21-10-12-23(13-11-21)33-19(4)14-18(3)31-33;1-16(2)20-6-4-5-7-22(20)24-27-14-19-13-23(31)30(25(19)28-24)15-17-8-9-21-18(12-17)10-11-29(3)26(21)32;1-14(2)22-19(5-4-6-20(22)26)23-27-12-18-11-21(32)31(24(18)28-23)13-16-7-9-17(10-8-16)25-30-29-15(3)33-25;1-14(2)22-19(5-4-6-20(22)26)24-27-12-18-11-21(32)31(25(18)29-24)13-16-7-9-17(10-8-16)23-28-15(3)33-30-23/h2*6-14,16-17,20H,15H2,1-5H3;4-9,12,14,16H,10-11,13,15H2,1-3H3;2*4-10,12,14H,11,13H2,1-3H3/t2*20-;;;/m10.../s1.

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

7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 2216.63 g/mol, XLogP of 25.13, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 157103339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).