6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C107H117F10N27O9 — CID 159090062

About 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159090062) has the molecular formula C107H117F10N27O9 and a molecular weight of 2115.27 g/mol. Its IUPAC name is 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 159090062
• Molecular Formula: C107H117F10N27O9
• Molecular Weight: 2115.27 g/mol
• Exact Mass: 2113.94
• IUPAC Name: 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.COc1ccccc1Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2F)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCNCC1
• InChI: InChI=1S/C19H19F3N4O.2C18H18F3N5O2.C18H19FN4O.C18H21N5O2.C16H22N4O/c20-19(21,22)13-6-4-5-12(9-13)10-16-24-17-15(18(27)25-16)11-23-26(17)14-7-2-1-3-8-14;1-25-7-6-12(10-25)26-16-13(9-22-26)17(27)24-15(23-16)8-11-4-2-3-5-14(11)28-18(19,20)21;19-18(20,21)28-14-4-2-1-3-11(14)9-15-24-16-13(17(27)25-15)10-23-26(16)12-5-7-22-8-6-12;19-15-9-5-4-6-12(15)10-16-21-17-14(18(24)22-16)11-20-23(17)13-7-2-1-3-8-13;1-22-8-7-13(11-22)23-17-14(10-19-23)18(24)21-16(20-17)9-12-5-3-4-6-15(12)25-2;21-16-13-10-17-20(12-7-2-1-3-8-12)15(13)18-14(19-16)9-11-5-4-6-11/h4-6,9,11,14H,1-3,7-8,10H2,(H,24,25,27);2-5,9,12H,6-8,10H2,1H3,(H,23,24,27);1-4,10,12,22H,5-9H2,(H,24,25,27);4-6,9,11,13H,1-3,7-8,10H2,(H,21,22,24);3-6,10,13H,7-9,11H2,1-2H3,(H,20,21,24);10-12H,1-9H2,(H,18,19,21)
• InChIKey: KBYHOKKPIRUFSG-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 427.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.27
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 159090062) is 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.COc1ccccc1Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2F)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCNCC1.

What is the InChIKey of 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is KBYHOKKPIRUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O.2C18H18F3N5O2.C18H19FN4O.C18H21N5O2.C16H22N4O/c20-19(21,22)13-6-4-5-12(9-13)10-16-24-17-15(18(27)25-16)11-23-26(17)14-7-2-1-3-8-14;1-25-7-6-12(10-25)26-16-13(9-22-26)17(27)24-15(23-16)8-11-4-2-3-5-14(11)28-18(19,20)21;19-18(20,21)28-14-4-2-1-3-11(14)9-15-24-16-13(17(27)25-15)10-23-26(16)12-5-7-22-8-6-12;19-15-9-5-4-6-12(15)10-16-21-17-14(18(24)22-16)11-20-23(17)13-7-2-1-3-8-13;1-22-8-7-13(11-22)23-17-14(10-19-23)18(24)21-16(20-17)9-12-5-3-4-6-15(12)25-2;21-16-13-10-17-20(12-7-2-1-3-8-12)15(13)18-14(19-16)9-11-5-4-6-11/h4-6,9,11,14H,1-3,7-8,10H2,(H,24,25,27);2-5,9,12H,6-8,10H2,1H3,(H,23,24,27);1-4,10,12,22H,5-9H2,(H,24,25,27);4-6,9,11,13H,1-3,7-8,10H2,(H,21,22,24);3-6,10,13H,7-9,11H2,1-2H3,(H,20,21,24);10-12H,1-9H2,(H,18,19,21).

What are the key properties of 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2115.27 g/mol, XLogP of 17.17, 21 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclobutylmethyl)-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-piperidin-4-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159090062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).