6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C107H132F7N27O7 — CID 159149049

About 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159149049) has the molecular formula C107H132F7N27O7 and a molecular weight of 2041.40 g/mol. Its IUPAC name is 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 159149049
• Molecular Formula: C107H132F7N27O7
• Molecular Weight: 2041.40 g/mol
• Exact Mass: 2040.07
• IUPAC Name: 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(F)(F)CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCC4)nc32)C1.CC(F)(F)CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCNC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCCC1
• InChI: InChI=1S/C19H19F3N4O2.C19H27F2N5O.C18H25F2N5O.C18H20N4O.C17H24N4O.C16H17N5O/c20-19(21,22)28-15-9-5-4-6-12(15)10-16-24-17-14(18(27)25-16)11-23-26(17)13-7-2-1-3-8-13;1-19(20,21)12-25-8-4-7-14(11-25)26-17-15(10-22-26)18(27)24-16(23-17)9-13-5-2-3-6-13;1-18(19,20)11-24-7-3-6-13(10-24)25-16-14(9-21-25)17(26)23-15(22-16)8-12-4-2-5-12;23-18-15-12-19-22(14-9-5-2-6-10-14)17(15)20-16(21-18)11-13-7-3-1-4-8-13;22-17-14-11-18-21(13-8-2-1-3-9-13)16(14)19-15(20-17)10-12-6-4-5-7-12;22-16-13-10-18-21(12-6-7-17-9-12)15(13)19-14(20-16)8-11-4-2-1-3-5-11/h4-6,9,11,13H,1-3,7-8,10H2,(H,24,25,27);10,13-14H,2-9,11-12H2,1H3,(H,23,24,27);9,12-13H,2-8,10-11H2,1H3,(H,22,23,26);1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,21,23);11-13H,1-10H2,(H,19,20,22);1-5,10,12,17H,6-9H2,(H,19,20,22)
• InChIKey: KJAXEVAMLOHIGX-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 409.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.40
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 159149049) is 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(F)(F)CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCC4)nc32)C1.CC(F)(F)CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCNC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCCC1.

What is the InChIKey of 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is KJAXEVAMLOHIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C19H27F2N5O.C18H25F2N5O.C18H20N4O.C17H24N4O.C16H17N5O/c20-19(21,22)28-15-9-5-4-6-12(15)10-16-24-17-14(18(27)25-16)11-23-26(17)13-7-2-1-3-8-13;1-19(20,21)12-25-8-4-7-14(11-25)26-17-15(10-22-26)18(27)24-16(23-17)9-13-5-2-3-6-13;1-18(19,20)11-24-7-3-6-13(10-24)25-16-14(9-21-25)17(26)23-15(22-16)8-12-4-2-5-12;23-18-15-12-19-22(14-9-5-2-6-10-14)17(15)20-16(21-18)11-13-7-3-1-4-8-13;22-17-14-11-18-21(13-8-2-1-3-9-13)16(14)19-15(20-17)10-12-6-4-5-7-12;22-16-13-10-18-21(12-6-7-17-9-12)15(13)19-14(20-16)8-11-4-2-1-3-5-11/h4-6,9,11,13H,1-3,7-8,10H2,(H,24,25,27);10,13-14H,2-9,11-12H2,1H3,(H,23,24,27);9,12-13H,2-8,10-11H2,1H3,(H,22,23,26);1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,21,23);11-13H,1-10H2,(H,19,20,22);1-5,10,12,17H,6-9H2,(H,19,20,22).

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

6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2041.40 g/mol, XLogP of 17.83, 23 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2,2-difluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159149049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).