1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C89H108F6N20O11 — CID 159775994

About 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159775994) has the molecular formula C89H108F6N20O11 and a molecular weight of 1747.96 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 159775994
• Molecular Formula: C89H108F6N20O11
• Molecular Weight: 1747.96 g/mol
• Exact Mass: 1746.84
• IUPAC Name: 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(=O)N1CCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CC1.CC(=O)N1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)CC1.CC(C)Cc1nc2c(cnn2C2CCCCO2)c(=O)[nH]1.O=C1CC(CC2CCCCC2)=Nc2c1ccn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2C(F)(F)F)nc2c1cnn2C1CCCCO1
• InChI: InChI=1S/C20H20F3N5O3.C19H26N2O2.C18H17F3N4O2.C18H25N5O2.C14H20N4O2/c1-12(29)27-8-6-14(7-9-27)28-18-15(11-24-28)19(30)26-17(25-18)10-13-4-2-3-5-16(13)31-20(21,22)23;22-18-13-15(12-14-4-2-1-3-5-14)20-19-17(18)6-9-21(19)16-7-10-23-11-8-16;19-18(20,21)13-6-2-1-5-11(13)9-14-23-16-12(17(26)24-14)10-22-25(16)15-7-3-4-8-27-15;1-12(24)22-8-6-14(7-9-22)23-17-15(11-19-23)18(25)21-16(20-17)10-13-4-2-3-5-13;1-9(2)7-11-16-13-10(14(19)17-11)8-15-18(13)12-5-3-4-6-20-12/h2-5,11,14H,6-10H2,1H3,(H,25,26,30);6,9,14,16H,1-5,7-8,10-13H2;1-2,5-6,10,15H,3-4,7-9H2,(H,23,24,26);11,13-14H,2-10H2,1H3,(H,20,21,25);8-9,12H,3-7H2,1-2H3,(H,16,17,19)
• InChIKey: NGTALRACTVKLFI-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 366.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.96
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 159775994) is 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(=O)N1CCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CC1.CC(=O)N1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)CC1.CC(C)Cc1nc2c(cnn2C2CCCCO2)c(=O)[nH]1.O=C1CC(CC2CCCCC2)=Nc2c1ccn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2C(F)(F)F)nc2c1cnn2C1CCCCO1.

What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is NGTALRACTVKLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3.C19H26N2O2.C18H17F3N4O2.C18H25N5O2.C14H20N4O2/c1-12(29)27-8-6-14(7-9-27)28-18-15(11-24-28)19(30)26-17(25-18)10-13-4-2-3-5-16(13)31-20(21,22)23;22-18-13-15(12-14-4-2-1-3-5-14)20-19-17(18)6-9-21(19)16-7-10-23-11-8-16;19-18(20,21)13-6-2-1-5-11(13)9-14-23-16-12(17(26)24-14)10-22-25(16)15-7-3-4-8-27-15;1-12(24)22-8-6-14(7-9-22)23-17-15(11-19-23)18(25)21-16(20-17)10-13-4-2-3-5-13;1-9(2)7-11-16-13-10(14(19)17-11)8-15-18(13)12-5-3-4-6-20-12/h2-5,11,14H,6-10H2,1H3,(H,25,26,30);6,9,14,16H,1-5,7-8,10-13H2;1-2,5-6,10,15H,3-4,7-9H2,(H,23,24,26);11,13-14H,2-10H2,1H3,(H,20,21,25);8-9,12H,3-7H2,1-2H3,(H,16,17,19).

What are the key properties of 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1747.96 g/mol, XLogP of 14.74, 16 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-acetylpiperidin-4-yl)-6-(cyclopentylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-acetylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclohexylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylpropyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-2-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159775994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).