6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate

C120H83BrCl5N21O10S4 — CID 158323703

About 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate

6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate (PubChem CID 158323703) has the molecular formula C120H83BrCl5N21O10S4 and a molecular weight of 2364.56 g/mol. Its IUPAC name is 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate.

Molecular Properties

• Compound Name: 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate
• PubChem CID: 158323703
• Molecular Formula: C120H83BrCl5N21O10S4
• Molecular Weight: 2364.56 g/mol
• Exact Mass: 2359.31
• IUPAC Name: 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate
• SMILES: CC(=O)OCSc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.CS(=O)c1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.CSc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1
• InChI: InChI=1S/C26H19ClN4O3S.C24H17ClN4O2S.C24H17ClN4OS.C23H14BrClN4O.C23H16ClN5O3S/c1-17(32)34-16-35-22-13-7-18(8-14-22)24-29-25-23(15-28-31(25)21-5-3-2-4-6-21)26(33)30(24)20-11-9-19(27)10-12-20;1-32(31)20-13-7-16(8-14-20)22-27-23-21(15-26-29(23)19-5-3-2-4-6-19)24(30)28(22)18-11-9-17(25)10-12-18;1-31-20-13-7-16(8-14-20)22-27-23-21(15-26-29(23)19-5-3-2-4-6-19)24(30)28(22)18-11-9-17(25)10-12-18;24-16-8-6-15(7-9-16)21-27-22-20(14-26-29(22)19-4-2-1-3-5-19)23(30)28(21)18-12-10-17(25)11-13-18;24-16-8-10-17(11-9-16)28-21(15-6-12-19(13-7-15)33(25,31)32)27-22-20(23(28)30)14-26-29(22)18-4-2-1-3-5-18/h2-15H,16H2,1H3;2-15H,1H3;2-15H,1H3;1-14H;1-14H,(H2,25,31,32)
• InChIKey: GPDOWTWQZHZOIH-UHFFFAOYSA-N
• XLogP: 24.94
• TPSA: 367.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2364.56
LogP ≤ 5	24.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate?

The IUPAC name of 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate (CID 158323703) is 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate.

What is the SMILES notation for 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate?

The canonical SMILES for 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate is CC(=O)OCSc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.CS(=O)c1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.CSc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1.O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1.

What is the InChIKey of 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate?

The InChIKey is GPDOWTWQZHZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O3S.C24H17ClN4O2S.C24H17ClN4OS.C23H14BrClN4O.C23H16ClN5O3S/c1-17(32)34-16-35-22-13-7-18(8-14-22)24-29-25-23(15-28-31(25)21-5-3-2-4-6-21)26(33)30(24)20-11-9-19(27)10-12-20;1-32(31)20-13-7-16(8-14-20)22-27-23-21(15-26-29(23)19-5-3-2-4-6-19)24(30)28(22)18-11-9-17(25)10-12-18;1-31-20-13-7-16(8-14-20)22-27-23-21(15-26-29(23)19-5-3-2-4-6-19)24(30)28(22)18-11-9-17(25)10-12-18;24-16-8-6-15(7-9-16)21-27-22-20(14-26-29(22)19-4-2-1-3-5-19)23(30)28(21)18-12-10-17(25)11-13-18;24-16-8-10-17(11-9-16)28-21(15-6-12-19(13-7-15)33(25,31)32)27-22-20(23(28)30)14-26-29(22)18-4-2-1-3-5-18/h2-15H,16H2,1H3;2-15H,1H3;2-15H,1H3;1-14H;1-14H,(H2,25,31,32).

What are the key properties of 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate?

6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate has a molecular weight of 2364.56 g/mol, XLogP of 24.94, 21 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;5-(4-chlorophenyl)-6-(4-methylsulfinylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]benzenesulfonamide;[4-[5-(4-chlorophenyl)-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]sulfanylmethyl acetate is sourced from PubChem (CID 158323703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).