6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C83H92F12N16O10 — CID 158372660

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

6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158372660) has the molecular formula C83H92F12N16O10 and a molecular weight of 1701.73 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 158372660
• Molecular Formula: C83H92F12N16O10
• Molecular Weight: 1701.73 g/mol
• Exact Mass: 1700.70
• IUPAC Name: 6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.CCC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.O=C1CC(Cc2cccc(C(F)(F)F)c2)=Nc2c1ccn2C1CCOCC1.O=C1CC(Cc2ccccc2C(F)(F)F)=Nc2c1ccn2C1CCOCC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/2C20H19F3N2O2.C15H19F3N4O2.C14H17F3N4O2.C14H18N4O2/c21-20(22,23)14-3-1-2-13(10-14)11-15-12-18(26)17-4-7-25(19(17)24-15)16-5-8-27-9-6-16;21-20(22,23)17-4-2-1-3-13(17)11-14-12-18(26)16-5-8-25(19(16)24-14)15-6-9-27-10-7-15;1-2-9(15(16,17)18)7-12-20-13-11(14(23)21-12)8-19-22(13)10-3-5-24-6-4-10;1-8(14(15,16)17)6-11-19-12-10(13(22)20-11)7-18-21(12)9-2-4-23-5-3-9;19-14-11-8-15-18(10-3-5-20-6-4-10)13(11)16-12(17-14)7-9-1-2-9/h1-4,7,10,16H,5-6,8-9,11-12H2;1-5,8,15H,6-7,9-12H2;8-10H,2-7H2,1H3,(H,20,21,23);7-9H,2-6H2,1H3,(H,19,20,22);8-10H,1-7H2,(H,16,17,19)
• InChIKey: GUUOFIBZGUSTAV-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 305.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.73
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158372660) is 6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.CCC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.O=C1CC(Cc2cccc(C(F)(F)F)c2)=Nc2c1ccn2C1CCOCC1.O=C1CC(Cc2ccccc2C(F)(F)F)=Nc2c1ccn2C1CCOCC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCOCC1.

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

The InChIKey is GUUOFIBZGUSTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19F3N2O2.C15H19F3N4O2.C14H17F3N4O2.C14H18N4O2/c21-20(22,23)14-3-1-2-13(10-14)11-15-12-18(26)17-4-7-25(19(17)24-15)16-5-8-27-9-6-16;21-20(22,23)17-4-2-1-3-13(17)11-14-12-18(26)16-5-8-25(19(16)24-14)15-6-9-27-10-7-15;1-2-9(15(16,17)18)7-12-20-13-11(14(23)21-12)8-19-22(13)10-3-5-24-6-4-10;1-8(14(15,16)17)6-11-19-12-10(13(22)20-11)7-18-21(12)9-2-4-23-5-3-9;19-14-11-8-15-18(10-3-5-20-6-4-10)13(11)16-12(17-14)7-9-1-2-9/h1-4,7,10,16H,5-6,8-9,11-12H2;1-5,8,15H,6-7,9-12H2;8-10H,2-7H2,1H3,(H,20,21,23);7-9H,2-6H2,1H3,(H,19,20,22);8-10H,1-7H2,(H,16,17,19).

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

6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1701.73 g/mol, XLogP of 15.76, 16 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one;1-(oxan-4-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158372660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).