6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C99H128F3N25O8 — CID 158202229

About 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158202229) has the molecular formula C99H128F3N25O8 and a molecular weight of 1853.27 g/mol. Its IUPAC name is 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(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-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 158202229
• Molecular Formula: C99H128F3N25O8
• Molecular Weight: 1853.27 g/mol
• Exact Mass: 1852.03
• IUPAC Name: 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)Cc1nc2c(cnn2C2CCOCC2C)c(=O)[nH]1.CC1COCCC1n1ncc2c(=O)[nH]c(CC3CCCC3)nc21.CCC(CC)Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccn2)nc2c1cnn2C1CCCC1
• InChI: InChI=1S/C19H19F3N4O.C17H24N4O2.C17H26N4O.C16H17N5O.C15H22N4O2.C15H20N4O/c20-19(21,22)13-6-4-5-12(9-13)10-16-24-17-15(18(27)25-16)11-23-26(17)14-7-2-1-3-8-14;1-11-10-23-7-6-14(11)21-16-13(9-18-21)17(22)20-15(19-16)8-12-4-2-3-5-12;1-3-12(4-2)10-15-19-16-14(17(22)20-15)11-18-21(16)13-8-6-5-7-9-13;22-16-13-10-18-21(12-6-1-2-7-12)15(13)19-14(20-16)9-11-5-3-4-8-17-11;1-9(2)6-13-17-14-11(15(20)18-13)7-16-19(14)12-4-5-21-8-10(12)3;20-15-12-9-16-19(11-6-1-2-7-11)14(12)17-13(18-15)8-10-4-3-5-10/h4-6,9,11,14H,1-3,7-8,10H2,(H,24,25,27);9,11-12,14H,2-8,10H2,1H3,(H,19,20,22);11-13H,3-10H2,1-2H3,(H,19,20,22);3-5,8,10,12H,1-2,6-7,9H2,(H,19,20,22);7,9-10,12H,4-6,8H2,1-3H3,(H,17,18,20);9-11H,1-8H2,(H,17,18,20)
• InChIKey: GBBQGUNXPGMOBT-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 412.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1853.27
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(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-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158202229) is 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(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-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(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-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Cc1nc2c(cnn2C2CCOCC2C)c(=O)[nH]1.CC1COCCC1n1ncc2c(=O)[nH]c(CC3CCCC3)nc21.CCC(CC)Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.O=c1[nH]c(CC2CCC2)nc2c1cnn2C1CCCC1.O=c1[nH]c(Cc2cccc(C(F)(F)F)c2)nc2c1cnn2C1CCCCC1.O=c1[nH]c(Cc2ccccn2)nc2c1cnn2C1CCCC1.

What is the InChIKey of 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is GBBQGUNXPGMOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O.C17H24N4O2.C17H26N4O.C16H17N5O.C15H22N4O2.C15H20N4O/c20-19(21,22)13-6-4-5-12(9-13)10-16-24-17-15(18(27)25-16)11-23-26(17)14-7-2-1-3-8-14;1-11-10-23-7-6-14(11)21-16-13(9-18-21)17(22)20-15(19-16)8-12-4-2-3-5-12;1-3-12(4-2)10-15-19-16-14(17(22)20-15)11-18-21(16)13-8-6-5-7-9-13;22-16-13-10-18-21(12-6-1-2-7-12)15(13)19-14(20-16)9-11-5-3-4-8-17-11;1-9(2)6-13-17-14-11(15(20)18-13)7-16-19(14)12-4-5-21-8-10(12)3;20-15-12-9-16-19(11-6-1-2-7-11)14(12)17-13(18-15)8-10-4-3-5-10/h4-6,9,11,14H,1-3,7-8,10H2,(H,24,25,27);9,11-12,14H,2-8,10H2,1H3,(H,19,20,22);11-13H,3-10H2,1-2H3,(H,19,20,22);3-5,8,10,12H,1-2,6-7,9H2,(H,19,20,22);7,9-10,12H,4-6,8H2,1-3H3,(H,17,18,20);9-11H,1-8H2,(H,17,18,20).

What are the key properties of 6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1853.27 g/mol, XLogP of 17.00, 20 rotatable bonds, 6 hydrogen bond donors, and 27 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-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158202229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).