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

C101H125F7N30O7 — CID 158826187

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

6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158826187) has the molecular formula C101H125F7N30O7 and a molecular weight of 2004.30 g/mol. Its IUPAC name is 6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 158826187
• Molecular Formula: C101H125F7N30O7
• Molecular Weight: 2004.30 g/mol
• Exact Mass: 2003.02
• IUPAC Name: 6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CCC(Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1)C(F)(F)F.CN1CCC(n2ncc3c(=O)[nH]c(CC4CCC4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCC4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4cccc(C(F)(F)F)c4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4F)nc32)C1.COc1ccccc1Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1
• InChI: InChI=1S/C19H20F3N5O.C18H20FN5O.C18H21N5O2.C16H23N5O.C15H20F3N5O.C15H21N5O/c1-26-7-3-6-14(11-26)27-17-15(10-23-27)18(28)25-16(24-17)9-12-4-2-5-13(8-12)19(20,21)22;1-23-8-4-6-13(11-23)24-17-14(10-20-24)18(25)22-16(21-17)9-12-5-2-3-7-15(12)19;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;1-20-7-3-6-12(10-20)21-15-13(9-17-21)16(22)19-14(18-15)8-11-4-2-5-11;1-3-9(15(16,17)18)6-12-20-13-11(14(24)21-12)7-19-23(13)10-4-5-22(2)8-10;1-19-6-5-11(9-19)20-14-12(8-16-20)15(21)18-13(17-14)7-10-3-2-4-10/h2,4-5,8,10,14H,3,6-7,9,11H2,1H3,(H,24,25,28);2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,21,22,25);3-6,10,13H,7-9,11H2,1-2H3,(H,20,21,24);9,11-12H,2-8,10H2,1H3,(H,18,19,22);7,9-10H,3-6,8H2,1-2H3,(H,20,21,24);8,10-11H,2-7,9H2,1H3,(H,17,18,21)
• InChIKey: IWMGQWBCJLETGA-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 410.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.30
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158826187) is 6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1)C(F)(F)F.CN1CCC(n2ncc3c(=O)[nH]c(CC4CCC4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCC4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4cccc(C(F)(F)F)c4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4F)nc32)C1.COc1ccccc1Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1.

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

The InChIKey is IWMGQWBCJLETGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O.C18H20FN5O.C18H21N5O2.C16H23N5O.C15H20F3N5O.C15H21N5O/c1-26-7-3-6-14(11-26)27-17-15(10-23-27)18(28)25-16(24-17)9-12-4-2-5-13(8-12)19(20,21)22;1-23-8-4-6-13(11-23)24-17-14(10-20-24)18(25)22-16(21-17)9-12-5-2-3-7-15(12)19;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;1-20-7-3-6-12(10-20)21-15-13(9-17-21)16(22)19-14(18-15)8-11-4-2-5-11;1-3-9(15(16,17)18)6-12-20-13-11(14(24)21-12)7-19-23(13)10-4-5-22(2)8-10;1-19-6-5-11(9-19)20-14-12(8-16-20)15(21)18-13(17-14)7-10-3-2-4-10/h2,4-5,8,10,14H,3,6-7,9,11H2,1H3,(H,24,25,28);2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,21,22,25);3-6,10,13H,7-9,11H2,1-2H3,(H,20,21,24);9,11-12H,2-8,10H2,1H3,(H,18,19,22);7,9-10H,3-6,8H2,1-2H3,(H,20,21,24);8,10-11H,2-7,9H2,1H3,(H,17,18,21).

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

6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2004.30 g/mol, XLogP of 11.90, 20 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclobutylmethyl)-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclobutylmethyl)-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-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-methylpiperidin-3-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158826187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).