6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C92H113F3N24O10 — CID 158616415

About 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158616415) has the molecular formula C92H113F3N24O10 and a molecular weight of 1772.07 g/mol. Its IUPAC name is 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 158616415
• Molecular Formula: C92H113F3N24O10
• Molecular Weight: 1772.07 g/mol
• Exact Mass: 1770.90
• IUPAC Name: 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.CC(Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1)C(F)(F)F.CCOc1ccccc1Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.COc1ccccc1Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCOC1.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCC1
• InChI: InChI=1S/C19H22N4O2.C18H20N4O2.C15H20N4O.C14H20N4O.C13H15F3N4O2.C13H16N4O2/c1-2-25-16-10-6-3-7-13(16)11-17-21-18-15(19(24)22-17)12-20-23(18)14-8-4-5-9-14;1-24-15-9-5-2-6-12(15)10-16-20-17-14(18(23)21-16)11-19-22(17)13-7-3-4-8-13;20-15-12-9-16-19(11-6-1-2-7-11)14(12)17-13(18-15)8-10-4-3-5-10;1-9(2)7-12-16-13-11(14(19)17-12)8-15-18(13)10-5-3-4-6-10;1-7(13(14,15)16)4-10-18-11-9(12(21)19-10)5-17-20(11)8-2-3-22-6-8;18-13-10-6-14-17(9-3-4-19-7-9)12(10)15-11(16-13)5-8-1-2-8/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3,(H,21,22,24);2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,20,21,23);9-11H,1-8H2,(H,17,18,20);8-10H,3-7H2,1-2H3,(H,16,17,19);5,7-8H,2-4,6H2,1H3,(H,18,19,21);6,8-9H,1-5,7H2,(H,15,16,18)
• InChIKey: HXLFXJUITYAZPM-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 418.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.07
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158616415) is 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.CC(Cc1nc2c(cnn2C2CCOC2)c(=O)[nH]1)C(F)(F)F.CCOc1ccccc1Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.COc1ccccc1Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCOC1.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCC1.

What is the InChIKey of 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is HXLFXJUITYAZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.C18H20N4O2.C15H20N4O.C14H20N4O.C13H15F3N4O2.C13H16N4O2/c1-2-25-16-10-6-3-7-13(16)11-17-21-18-15(19(24)22-17)12-20-23(18)14-8-4-5-9-14;1-24-15-9-5-2-6-12(15)10-16-20-17-14(18(23)21-16)11-19-22(17)13-7-3-4-8-13;20-15-12-9-16-19(11-6-1-2-7-11)14(12)17-13(18-15)8-10-4-3-5-10;1-9(2)7-12-16-13-11(14(19)17-12)8-15-18(13)10-5-3-4-6-10;1-7(13(14,15)16)4-10-18-11-9(12(21)19-10)5-17-20(11)8-2-3-22-6-8;18-13-10-6-14-17(9-3-4-19-7-9)12(10)15-11(16-13)5-8-1-2-8/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3,(H,21,22,24);2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,20,21,23);9-11H,1-8H2,(H,17,18,20);8-10H,3-7H2,1-2H3,(H,16,17,19);5,7-8H,2-4,6H2,1H3,(H,18,19,21);6,8-9H,1-5,7H2,(H,15,16,18).

What are the key properties of 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1772.07 g/mol, XLogP of 13.92, 21 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[(2-methoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158616415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).