1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C₈₂H₈₇F₇N₂₀O₈ — CID 158219227

About 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158219227) has the molecular formula C₈₂H₈₇F₇N₂₀O₈ and a molecular weight of 1613.72 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 158219227
• Molecular Formula: C₈₂H₈₇F₇N₂₀O₈
• Molecular Weight: 1613.72 g/mol
• Exact Mass: 1612.69
• IUPAC Name: 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C=C1CC(Cc2cccc(C#N)c2)=Nc2c1cnn2C1CCOC1.CCC(Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1)C(F)(F)F.O=c1[nH]c(CC2CCOC2)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2ccc(F)cc2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccccc2C(F)(F)F)nc2c1cnn2C1CCCC1
• InChI: InChI=1S/C19H18N4O.C18H17F3N4O.C17H17FN4O.C14H17F3N4O2.C14H18N4O3/c1-13-7-16(9-14-3-2-4-15(8-14)10-20)22-19-18(13)11-21-23(19)17-5-6-24-12-17;19-18(20,21)14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12;18-12-7-5-11(6-8-12)9-15-20-16-14(17(23)21-15)10-19-22(16)13-3-1-2-4-13;1-2-8(14(15,16)17)5-11-19-12-10(13(22)20-11)6-18-21(12)9-3-4-23-7-9;19-14-11-6-15-18(10-2-4-21-8-10)13(11)16-12(17-14)5-9-1-3-20-7-9/h2-4,8,11,17H,1,5-7,9,12H2;1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26);5-8,10,13H,1-4,9H2,(H,20,21,23);6,8-9H,2-5,7H2,1H3,(H,19,20,22);6,9-10H,1-5,7-8H2,(H,16,17,19)
• InChIKey: GDAPCRRVBSQSSM-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 345.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1613.72
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158219227) is 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C1CC(Cc2cccc(C#N)c2)=Nc2c1cnn2C1CCOC1.CCC(Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1)C(F)(F)F.O=c1[nH]c(CC2CCOC2)nc2c1cnn2C1CCOC1.O=c1[nH]c(Cc2ccc(F)cc2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2ccccc2C(F)(F)F)nc2c1cnn2C1CCCC1.

What is the InChIKey of 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is GDAPCRRVBSQSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C18H17F3N4O.C17H17FN4O.C14H17F3N4O2.C14H18N4O3/c1-13-7-16(9-14-3-2-4-15(8-14)10-20)22-19-18(13)11-21-23(19)17-5-6-24-12-17;19-18(20,21)14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12;18-12-7-5-11(6-8-12)9-15-20-16-14(17(23)21-15)10-19-22(16)13-3-1-2-4-13;1-2-8(14(15,16)17)5-11-19-12-10(13(22)20-11)6-18-21(12)9-3-4-23-7-9;19-14-11-6-15-18(10-2-4-21-8-10)13(11)16-12(17-14)5-9-1-3-20-7-9/h2-4,8,11,17H,1,5-7,9,12H2;1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26);5-8,10,13H,1-4,9H2,(H,20,21,23);6,8-9H,2-5,7H2,1H3,(H,19,20,22);6,9-10H,1-5,7-8H2,(H,16,17,19).

What are the key properties of 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1613.72 g/mol, XLogP of 13.13, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158219227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158219227 — identifiers, structure, computed properties (public domain)

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