2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

C95H75Cl3F3N21O5 — CID 173240838

About 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 173240838) has the molecular formula C95H75Cl3F3N21O5 and a molecular weight of 1754.14 g/mol. Its IUPAC name is 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 173240838
• Molecular Formula: C95H75Cl3F3N21O5
• Molecular Weight: 1754.14 g/mol
• Exact Mass: 1751.53
• IUPAC Name: 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
• SMILES: Cc1ccc(Cn2cnc3nn(Cc4ccccc4)cc3c2=O)cc1.O=c1c2cn(Cc3ccccc3)nc2ncn1Cc1c(F)cccc1Cl.O=c1c2cn(Cc3ccccc3)nc2ncn1Cc1c(F)cccc1F.O=c1c2cn(Cc3ccccc3)nc2ncn1Cc1ccccn1.O=c1c2cn(Cc3ccccc3Cl)nc2ncn1Cc1ccccc1Cl
• InChI: InChI=1S/C20H18N4O.C19H14Cl2N4O.C19H14ClFN4O.C19H14F2N4O.C18H15N5O/c1-15-7-9-17(10-8-15)11-23-14-21-19-18(20(23)25)13-24(22-19)12-16-5-3-2-4-6-16;20-16-7-3-1-5-13(16)9-24-12-22-18-15(19(24)26)11-25(23-18)10-14-6-2-4-8-17(14)21;2*20-16-7-4-8-17(21)14(16)10-24-12-22-18-15(19(24)26)11-25(23-18)9-13-5-2-1-3-6-13;24-18-16-12-23(10-14-6-2-1-3-7-14)21-17(16)20-13-22(18)11-15-8-4-5-9-19-15/h2-10,13-14H,11-12H2,1H3;3*1-8,11-12H,9-10H2;1-9,12-13H,10-11H2
• InChIKey: JPQRVBJRXSHUFT-UHFFFAOYSA-N
• XLogP: 15.53
• TPSA: 276.44 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1754.14
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one (CID 173240838) is 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?

The canonical SMILES for 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one is Cc1ccc(Cn2cnc3nn(Cc4ccccc4)cc3c2=O)cc1.O=c1c2cn(Cc3ccccc3)nc2ncn1Cc1c(F)cccc1Cl.O=c1c2cn(Cc3ccccc3)nc2ncn1Cc1c(F)cccc1F.O=c1c2cn(Cc3ccccc3)nc2ncn1Cc1ccccn1.O=c1c2cn(Cc3ccccc3Cl)nc2ncn1Cc1ccccc1Cl.

What is the InChIKey of 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?

The InChIKey is JPQRVBJRXSHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.C19H14Cl2N4O.C19H14ClFN4O.C19H14F2N4O.C18H15N5O/c1-15-7-9-17(10-8-15)11-23-14-21-19-18(20(23)25)13-24(22-19)12-16-5-3-2-4-6-16;20-16-7-3-1-5-13(16)9-24-12-22-18-15(19(24)26)11-25(23-18)10-14-6-2-4-8-17(14)21;2*20-16-7-4-8-17(21)14(16)10-24-12-22-18-15(19(24)26)11-25(23-18)9-13-5-2-1-3-6-13;24-18-16-12-23(10-14-6-2-1-3-7-14)21-17(16)20-13-22(18)11-15-8-4-5-9-19-15/h2-10,13-14H,11-12H2,1H3;3*1-8,11-12H,9-10H2;1-9,12-13H,10-11H2.

What are the key properties of 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one?

2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 1754.14 g/mol, XLogP of 15.53, 20 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-5-[(2-chloro-6-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(2,6-difluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one;2-benzyl-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one;2,5-bis[(2-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 173240838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).