About 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine
1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine (PubChem CID 162213334) has the molecular formula C90H70F10N24O14
and a molecular weight of 1905.71 g/mol. Its IUPAC name is 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine.
Frequently Asked Questions
What is the IUPAC name of 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
The IUPAC name of 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine (CID 162213334) is 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine.
What is the SMILES notation for 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
The canonical SMILES for 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine is CC(=O)n1c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2c(=O)n1C.COc1ccc(C2=Nc3nc(-c4cc(-c5ccon5)n(Cc5ccccc5F)n4)ncc3C(C)(C)O2)cc1.O=C1Nc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2OC1(C(F)(F)F)C(F)(F)F.O=c1cc(O)c2c(=O)[nH]c(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)nc2o1.[H][2H].[H][2H].[H][2H].[H][2H].
What is the InChIKey of 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
The InChIKey is JWGUUFVVOXXGIS-DZAJDSGJSA-N. The full InChI is InChI=1S/C28H23FN6O3.C21H11F7N6O3.C21H16FN7O3.C20H12FN5O5.4H2/c1-28(2)20-15-30-26(31-25(20)32-27(38-28)17-8-10-19(36-3)11-9-17)23-14-24(22-12-13-37-34-22)35(33-23)16-18-6-4-5-7-21(18)29;22-11-4-2-1-3-10(11)9-34-14(12-5-6-36-33-12)7-13(32-34)16-29-8-15-17(30-16)31-18(35)19(37-15,20(23,24)25)21(26,27)28;1-12(30)29-20-14(21(31)27(29)2)10-23-19(24-20)17-9-18(16-7-8-32-26-16)28(25-17)11-13-5-3-4-6-15(13)22;21-11-4-2-1-3-10(11)9-26-14(12-5-6-30-25-12)7-13(24-26)18-22-19(29)17-15(27)8-16(28)31-20(17)23-18;;;;/h4-15H,16H2,1-3H3;1-8H,9H2,(H,29,30,31,35);3-10H,11H2,1-2H3;1-8,27H,9H2,(H,22,23,29);4*1H/i;;;;4*1+1.
What are the key properties of 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine?
1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine has a molecular weight of 1905.71 g/mol, XLogP of 15.68, 18 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-one;deuterium monohydride;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6,6-bis(trifluoromethyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one;2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-hydroxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;7-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-2-(4-methoxyphenyl)-4,4-dimethylpyrimido[4,5-d][1,3]oxazine is sourced from PubChem (CID 162213334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).