6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C99H123F4N25O11 — CID 161146948

About 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 161146948) has the molecular formula C99H123F4N25O11 and a molecular weight of 1915.23 g/mol. Its IUPAC name is 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 161146948
• Molecular Formula: C99H123F4N25O11
• Molecular Weight: 1915.23 g/mol
• Exact Mass: 1913.98
• IUPAC Name: 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(=O)N1CCC(Oc2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)CC1.CC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.CC(Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1)C(F)(F)F.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccc(F)cc2)nc2c1cnn2C1CCOC1
• InChI: InChI=1S/C24H29N5O4.C17H24N4O.C16H15FN4O2.C15H20N4O.C14H20N4O.C13H15F3N4O2/c1-16(30)28-10-6-19(7-11-28)33-21-5-3-2-4-17(21)14-22-26-23-20(24(31)27-22)15-25-29(23)18-8-12-32-13-9-18;22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12;17-11-3-1-10(2-4-11)7-14-19-15-13(16(22)20-14)8-18-21(15)12-5-6-23-9-12;20-15-12-9-16-19(11-6-1-2-7-11)14(12)17-13(18-15)8-10-4-3-5-10;1-9(2)7-12-16-13-11(14(19)17-12)8-15-18(13)10-5-3-4-6-10;1-7(13(14,15)16)4-10-18-11-9(12(21)19-10)5-17-20(11)8-2-3-22-6-8/h2-5,15,18-19H,6-14H2,1H3,(H,26,27,31);11-13H,1-10H2,(H,19,20,22);1-4,8,12H,5-7,9H2,(H,19,20,22);9-11H,1-8H2,(H,17,18,20);8-10H,3-7H2,1-2H3,(H,16,17,19);5,7-8H,2-4,6H2,1H3,(H,18,19,21)
• InChIKey: UOEKBXXZMGQXPK-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 438.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1915.23
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 161146948) is 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(=O)N1CCC(Oc2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)CC1.CC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.CC(Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1)C(F)(F)F.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccc(F)cc2)nc2c1cnn2C1CCOC1.

What is the InChIKey of 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is UOEKBXXZMGQXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4.C17H24N4O.C16H15FN4O2.C15H20N4O.C14H20N4O.C13H15F3N4O2/c1-16(30)28-10-6-19(7-11-28)33-21-5-3-2-4-17(21)14-22-26-23-20(24(31)27-22)15-25-29(23)18-8-12-32-13-9-18;22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12;17-11-3-1-10(2-4-11)7-14-19-15-13(16(22)20-14)8-18-21(15)12-5-6-23-9-12;20-15-12-9-16-19(11-6-1-2-7-11)14(12)17-13(18-15)8-10-4-3-5-10;1-9(2)7-12-16-13-11(14(19)17-12)8-15-18(13)10-5-3-4-6-10;1-7(13(14,15)16)4-10-18-11-9(12(21)19-10)5-17-20(11)8-2-3-22-6-8/h2-5,15,18-19H,6-14H2,1H3,(H,26,27,31);11-13H,1-10H2,(H,19,20,22);1-4,8,12H,5-7,9H2,(H,19,20,22);9-11H,1-8H2,(H,17,18,20);8-10H,3-7H2,1-2H3,(H,16,17,19);5,7-8H,2-4,6H2,1H3,(H,18,19,21).

What are the key properties of 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1915.23 g/mol, XLogP of 14.45, 20 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(1-acetylpiperidin-4-yl)oxyphenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 161146948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).