6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C131H132Cl2F3N33O12 — CID 158633621

About 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158633621) has the molecular formula C131H132Cl2F3N33O12 and a molecular weight of 2488.62 g/mol. Its IUPAC name is 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 158633621
• Molecular Formula: C131H132Cl2F3N33O12
• Molecular Weight: 2488.62 g/mol
• Exact Mass: 2486.01
• IUPAC Name: 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)(C)c1cccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c1.Cc1ccn(-c2ccc(Cl)cc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1.Cc1ccn(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1.O=c1[nH]c(Cc2cc(C(F)(F)F)ccc2-n2cccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2cc(Cl)ccc2-n2cccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2-n2cccc2)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/C27H30N4O2.C21H21ClN6O2.C21H19F3N6O2.C21H22N6O2.C21H21N5O2.C20H19ClN6O2/c1-27(2,3)20-9-6-8-18(15-20)22-10-5-4-7-19(22)16-24-29-25-23(26(32)30-24)17-28-31(25)21-11-13-33-14-12-21;1-13-4-7-27(26-13)18-3-2-15(22)10-14(18)11-19-24-20-17(21(29)25-19)12-23-28(20)16-5-8-30-9-6-16;22-21(23,24)14-2-3-17(29-7-1-6-25-29)13(10-14)11-18-27-19-16(20(31)28-18)12-26-30(19)15-4-8-32-9-5-15;1-14-6-9-26(25-14)18-5-3-2-4-15(18)12-19-23-20-17(21(28)24-19)13-22-27(20)16-7-10-29-11-8-16;27-21-17-14-22-26(16-7-11-28-12-8-16)20(17)23-19(24-21)13-15-5-1-2-6-18(15)25-9-3-4-10-25;21-14-2-3-17(26-7-1-6-22-26)13(10-14)11-18-24-19-16(20(28)25-18)12-23-27(19)15-4-8-29-9-5-15/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,29,30,32);2-4,7,10,12,16H,5-6,8-9,11H2,1H3,(H,24,25,29);1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,27,28,31);2-6,9,13,16H,7-8,10-12H2,1H3,(H,23,24,28);1-6,9-10,14,16H,7-8,11-13H2,(H,23,24,27);1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,24,25,28)
• InChIKey: HZMMGZICVDXOED-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 513.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2488.62
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158633621) is 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)c1cccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c1.Cc1ccn(-c2ccc(Cl)cc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1.Cc1ccn(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1.O=c1[nH]c(Cc2cc(C(F)(F)F)ccc2-n2cccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2cc(Cl)ccc2-n2cccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2-n2cccc2)nc2c1cnn2C1CCOCC1.

What is the InChIKey of 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is HZMMGZICVDXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C21H21ClN6O2.C21H19F3N6O2.C21H22N6O2.C21H21N5O2.C20H19ClN6O2/c1-27(2,3)20-9-6-8-18(15-20)22-10-5-4-7-19(22)16-24-29-25-23(26(32)30-24)17-28-31(25)21-11-13-33-14-12-21;1-13-4-7-27(26-13)18-3-2-15(22)10-14(18)11-19-24-20-17(21(29)25-19)12-23-28(20)16-5-8-30-9-6-16;22-21(23,24)14-2-3-17(29-7-1-6-25-29)13(10-14)11-18-27-19-16(20(31)28-18)12-26-30(19)15-4-8-32-9-5-15;1-14-6-9-26(25-14)18-5-3-2-4-15(18)12-19-23-20-17(21(28)24-19)13-22-27(20)16-7-10-29-11-8-16;27-21-17-14-22-26(16-7-11-28-12-8-16)20(17)23-19(24-21)13-15-5-1-2-6-18(15)25-9-3-4-10-25;21-14-2-3-17(26-7-1-6-22-26)13(10-14)11-18-24-19-16(20(28)25-18)12-23-27(19)15-4-8-29-9-5-15/h4-10,15,17,21H,11-14,16H2,1-3H3,(H,29,30,32);2-4,7,10,12,16H,5-6,8-9,11H2,1H3,(H,24,25,29);1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,27,28,31);2-6,9,13,16H,7-8,10-12H2,1H3,(H,23,24,28);1-6,9-10,14,16H,7-8,11-13H2,(H,23,24,27);1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,24,25,28).

What are the key properties of 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2488.62 g/mol, XLogP of 19.81, 24 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(3-tert-butylphenyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyrrol-1-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158633621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).