6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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

C123H144F9N35O10 — CID 161366042

About 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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 161366042) has the molecular formula C123H144F9N35O10 and a molecular weight of 2443.72 g/mol. Its IUPAC name is 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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: 161366042
• Molecular Formula: C123H144F9N35O10
• Molecular Weight: 2443.72 g/mol
• Exact Mass: 2442.17
• IUPAC Name: 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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(CC4CCCC4)nc32)C1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCNCC1
• InChI: InChI=1S/C19H20F3N5O2.2C18H18F3N5O2.C18H21N5O.C17H25N5O.C17H19N5O.C16H23N5O/c1-26-8-4-6-13(11-26)27-17-14(10-23-27)18(28)25-16(24-17)9-12-5-2-3-7-15(12)29-19(20,21)22;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;1-22-9-5-8-14(12-22)23-17-15(11-19-23)18(24)21-16(20-17)10-13-6-3-2-4-7-13;1-21-8-4-7-13(11-21)22-16-14(10-18-22)17(23)20-15(19-16)9-12-5-2-3-6-12;1-21-8-7-13(11-21)22-16-14(10-18-22)17(23)20-15(19-16)9-12-5-3-2-4-6-12;1-20-7-6-12(10-20)21-15-13(9-17-21)16(22)19-14(18-15)8-11-4-2-3-5-11/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,24,25,28);2-5,9,12H,6-8,10H2,1H3,(H,23,24,27);1-4,10,12,22H,5-9H2,(H,24,25,27);2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,21,24);10,12-13H,2-9,11H2,1H3,(H,19,20,23);2-6,10,13H,7-9,11H2,1H3,(H,19,20,23);9,11-12H,2-8,10H2,1H3,(H,18,19,22)
• InChIKey: VPUZVBWNIUNYEB-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 504.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.72
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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 161366042) is 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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(CC4CCCC4)nc32)C1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCNCC1.

What is the InChIKey of 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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 VPUZVBWNIUNYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2.2C18H18F3N5O2.C18H21N5O.C17H25N5O.C17H19N5O.C16H23N5O/c1-26-8-4-6-13(11-26)27-17-14(10-23-27)18(28)25-16(24-17)9-12-5-2-3-7-15(12)29-19(20,21)22;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;1-22-9-5-8-14(12-22)23-17-15(11-19-23)18(24)21-16(20-17)10-13-6-3-2-4-7-13;1-21-8-4-7-13(11-21)22-16-14(10-18-22)17(23)20-15(19-16)9-12-5-2-3-6-12;1-21-8-7-13(11-21)22-16-14(10-18-22)17(23)20-15(19-16)9-12-5-3-2-4-6-12;1-20-7-6-12(10-20)21-15-13(9-17-21)16(22)19-14(18-15)8-11-4-2-3-5-11/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,24,25,28);2-5,9,12H,6-8,10H2,1H3,(H,23,24,27);1-4,10,12,22H,5-9H2,(H,24,25,27);2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,21,24);10,12-13H,2-9,11H2,1H3,(H,19,20,23);2-6,10,13H,7-9,11H2,1H3,(H,19,20,23);9,11-12H,2-8,10H2,1H3,(H,18,19,22).

What are the key properties of 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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 2443.72 g/mol, XLogP of 15.31, 24 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-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 161366042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).