About 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 157288200) has the molecular formula C103H123ClF5N25O16
and a molecular weight of 2097.72 g/mol. Its IUPAC name is 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 157288200) is 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.COc1ccc(Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c(Cl)c1.Cc1cccn(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c1=O.O=c1[nH]c(CC2CCC(F)(F)CC2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(CC2CCCO2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(CC2CCOCC2)nc2c1cnn2C1CCOCC1.
What is the InChIKey of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BAMJPCXDMJFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3.C18H19ClN4O3.C17H22F2N4O2.C16H22N4O3.C15H20N4O3.C14H17F3N4O2/c1-15-5-4-10-27(23(15)30)19-7-3-2-6-16(19)13-20-25-21-18(22(29)26-20)14-24-28(21)17-8-11-31-12-9-17;1-25-13-3-2-11(15(19)9-13)8-16-21-17-14(18(24)22-16)10-20-23(17)12-4-6-26-7-5-12;18-17(19)5-1-11(2-6-17)9-14-21-15-13(16(24)22-14)10-20-23(15)12-3-7-25-8-4-12;21-16-13-10-17-20(12-3-7-23-8-4-12)15(13)18-14(19-16)9-11-1-5-22-6-2-11;20-15-12-9-16-19(10-3-6-21-7-4-10)14(12)17-13(18-15)8-11-2-1-5-22-11;1-8(14(15,16)17)6-11-19-12-10(13(22)20-11)7-18-21(12)9-2-4-23-5-3-9/h2-7,10,14,17H,8-9,11-13H2,1H3,(H,25,26,29);2-3,9-10,12H,4-8H2,1H3,(H,21,22,24);10-12H,1-9H2,(H,21,22,24);10-12H,1-9H2,(H,18,19,21);9-11H,1-8H2,(H,17,18,20);7-9H,2-6H2,1H3,(H,19,20,22).
What are the key properties of 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2097.72 g/mol, XLogP of 12.93, 20 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4,4-difluorocyclohexyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methyl-2-oxo-1-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxan-4-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(oxolan-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 157288200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).