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

C101H110F6N28O8 — CID 157053767

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

6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 157053767) has the molecular formula C101H110F6N28O8 and a molecular weight of 1958.17 g/mol. Its IUPAC name is 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 157053767
• Molecular Formula: C101H110F6N28O8
• Molecular Weight: 1958.17 g/mol
• Exact Mass: 1956.90
• IUPAC Name: 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCNC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCNC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCNCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCNC1
• InChI: InChI=1S/C19H19F3N4O2.C18H20N4O.C17H16F3N5O2.C17H19N5O.C16H17N5O.C14H19N5O/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;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;18-17(19,20)27-13-4-2-1-3-10(13)7-14-23-15-12(16(26)24-14)9-22-25(15)11-5-6-21-8-11;23-17-14-11-19-22(13-6-8-18-9-7-13)16(14)20-15(21-17)10-12-4-2-1-3-5-12;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;20-14-11-8-16-19(10-4-5-15-7-10)13(11)17-12(18-14)6-9-2-1-3-9/h4-6,9,11,13H,1-3,7-8,10H2,(H,24,25,27);1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,21,23);1-4,9,11,21H,5-8H2,(H,23,24,26);1-5,11,13,18H,6-10H2,(H,20,21,23);1-5,10,12,17H,6-9H2,(H,19,20,22);8-10,15H,1-7H2,(H,17,18,20)
• InChIKey: AAMVXCKBVKVMLJ-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 448.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.17
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 157053767) is 6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCNC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCNC1.O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCNCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCNC1.

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

The InChIKey is AAMVXCKBVKVMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C18H20N4O.C17H16F3N5O2.C17H19N5O.C16H17N5O.C14H19N5O/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;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;18-17(19,20)27-13-4-2-1-3-10(13)7-14-23-15-12(16(26)24-14)9-22-25(15)11-5-6-21-8-11;23-17-14-11-19-22(13-6-8-18-9-7-13)16(14)20-15(21-17)10-12-4-2-1-3-5-12;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;20-14-11-8-16-19(10-4-5-15-7-10)13(11)17-12(18-14)6-9-2-1-3-9/h4-6,9,11,13H,1-3,7-8,10H2,(H,24,25,27);1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,20,21,23);1-4,9,11,21H,5-8H2,(H,23,24,26);1-5,11,13,18H,6-10H2,(H,20,21,23);1-5,10,12,17H,6-9H2,(H,19,20,22);8-10,15H,1-7H2,(H,17,18,20).

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

6-benzyl-1-cyclohexyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1958.17 g/mol, XLogP of 13.35, 20 rotatable bonds, 10 hydrogen bond donors, and 30 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-piperidin-4-yl-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-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-pyrrolidin-3-yl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 157053767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).