About 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167646342) has the molecular formula C129H129N23O6
and a molecular weight of 2097.61 g/mol. Its IUPAC name is 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
Frequently Asked Questions
What is the IUPAC name of 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167646342) is 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(CCC1CCN(c3cccnc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nccn3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@@H](C)c1ccc(-n3cccn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@@H]1CCOc3ccccc31)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@H](C)c1ccc(-n3cccn3)cc1)C(=O)C2.
What is the InChIKey of 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PXPZDILZYJVPBQ-QXYVEXQPSA-N. The full InChI is InChI=1S/C27H31N5O.3C26H25N5O.C24H23N3O2/c1-19(2)23-7-3-4-8-24(23)26-29-17-21-16-25(33)32(27(21)30-26)15-11-20-9-13-31(14-10-20)22-6-5-12-28-18-22;2*1-17(2)22-7-4-5-8-23(22)25-27-16-20-15-24(32)31(26(20)29-25)18(3)19-9-11-21(12-10-19)30-14-6-13-28-30;1-17(2)21-6-4-5-7-22(21)24-28-15-20-14-23(32)31(26(20)29-24)16-18-8-10-19(11-9-18)25-27-12-13-30(25)3;1-15(2)17-7-3-4-8-18(17)23-25-14-16-13-22(28)27(24(16)26-23)20-11-12-29-21-10-6-5-9-19(20)21/h3-8,12,17-20H,9-11,13-16H2,1-2H3;2*4-14,16-18H,15H2,1-3H3;4-13,15,17H,14,16H2,1-3H3;3-10,14-15,20H,11-13H2,1-2H3/t;2*18-;;20-/m.10.1/s1.
What are the key properties of 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2097.61 g/mol, XLogP of 24.50, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 167646342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).