6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one

C109H126F3N23O8 — CID 158959710

About 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one

6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 158959710) has the molecular formula C109H126F3N23O8 and a molecular weight of 1943.35 g/mol. Its IUPAC name is 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

• Compound Name: 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
• PubChem CID: 158959710
• Molecular Formula: C109H126F3N23O8
• Molecular Weight: 1943.35 g/mol
• Exact Mass: 1942.01
• IUPAC Name: 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one
• SMILES: CCOc1ccccc1Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.Cc1cccnc1Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.N#Cc1cccc(CC2=Nc3c(cnn3C3CCCCC3)C(=O)C2)c1.O=C1CC(CC2CCC2)=Nc2c1cnn2C1CCCOC1.O=C1CC(Cc2ccccc2C(F)(F)F)=Nc2c1cnn2C1CCCCC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCCCC1
• InChI: InChI=1S/C20H20F3N3O.C20H24N4O2.C20H20N4O.C18H21N5O.C16H21N3O2.C15H20N4O/c21-20(22,23)17-9-5-4-6-13(17)10-14-11-18(27)16-12-24-26(19(16)25-14)15-7-2-1-3-8-15;1-2-26-17-11-7-6-8-14(17)12-18-22-19-16(20(25)23-18)13-21-24(19)15-9-4-3-5-10-15;21-12-15-6-4-5-14(9-15)10-16-11-19(25)18-13-22-24(20(18)23-16)17-7-2-1-3-8-17;1-12-6-5-9-19-15(12)10-16-21-17-14(18(24)22-16)11-20-23(17)13-7-3-2-4-8-13;20-15-8-12(7-11-3-1-4-11)18-16-14(15)9-17-19(16)13-5-2-6-21-10-13;20-15-12-9-16-19(11-4-2-1-3-5-11)14(12)17-13(18-15)8-10-6-7-10/h4-6,9,12,15H,1-3,7-8,10-11H2;6-8,11,13,15H,2-5,9-10,12H2,1H3,(H,22,23,25);4-6,9,13,17H,1-3,7-8,10-11H2;5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,21,22,24);9,11,13H,1-8,10H2;9-11H,1-8H2,(H,17,18,20)
• InChIKey: JMLPLJGUADMEKK-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 387.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.35
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?

The IUPAC name of 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one (CID 158959710) is 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one.

What is the SMILES notation for 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?

The canonical SMILES for 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one is CCOc1ccccc1Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.Cc1cccnc1Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1.N#Cc1cccc(CC2=Nc3c(cnn3C3CCCCC3)C(=O)C2)c1.O=C1CC(CC2CCC2)=Nc2c1cnn2C1CCCOC1.O=C1CC(Cc2ccccc2C(F)(F)F)=Nc2c1cnn2C1CCCCC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCCCC1.

What is the InChIKey of 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?

The InChIKey is JMLPLJGUADMEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O.C20H24N4O2.C20H20N4O.C18H21N5O.C16H21N3O2.C15H20N4O/c21-20(22,23)17-9-5-4-6-13(17)10-14-11-18(27)16-12-24-26(19(16)25-14)15-7-2-1-3-8-15;1-2-26-17-11-7-6-8-14(17)12-18-22-19-16(20(25)23-18)13-21-24(19)15-9-4-3-5-10-15;21-12-15-6-4-5-14(9-15)10-16-11-19(25)18-13-22-24(20(18)23-16)17-7-2-1-3-8-17;1-12-6-5-9-19-15(12)10-16-21-17-14(18(24)22-16)11-20-23(17)13-7-3-2-4-8-13;20-15-8-12(7-11-3-1-4-11)18-16-14(15)9-17-19(16)13-5-2-6-21-10-13;20-15-12-9-16-19(11-4-2-1-3-5-11)14(12)17-13(18-15)8-10-6-7-10/h4-6,9,12,15H,1-3,7-8,10-11H2;6-8,11,13,15H,2-5,9-10,12H2,1H3,(H,22,23,25);4-6,9,13,17H,1-3,7-8,10-11H2;5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,21,22,24);9,11,13H,1-8,10H2;9-11H,1-8H2,(H,17,18,20).

What are the key properties of 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one?

6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 1943.35 g/mol, XLogP of 21.66, 20 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclobutylmethyl)-1-(oxan-3-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-cyclohexyl-6-(cyclopropylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[(3-methyl-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-b]pyridin-6-yl)methyl]benzonitrile;1-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 158959710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).