sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate

C123H81Br5Cl5N20NaO14S5 — CID 160736042

About sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate

sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate (PubChem CID 160736042) has the molecular formula C123H81Br5Cl5N20NaO14S5 and a molecular weight of 2823.24 g/mol. Its IUPAC name is sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate.

Molecular Properties

• Compound Name: sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate
• PubChem CID: 160736042
• Molecular Formula: C123H81Br5Cl5N20NaO14S5
• Molecular Weight: 2823.24 g/mol
• Exact Mass: 2813.91
• IUPAC Name: sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate
• SMILES: CC(=O)OCS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.CC(=O)OCSc1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.CS(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.CSc1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.O=c1c2cnn(-c3cccc(S(=O)[O-])c3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1.[Na+]
• InChI: InChI=1S/C26H18BrClN4O5S.C26H18BrClN4O3S.C24H16BrClN4O2S.C24H16BrClN4OS.C23H14BrClN4O3S.Na/c1-16(33)37-15-38(35,36)22-4-2-3-21(13-22)32-25-23(14-29-32)26(34)31(20-11-9-19(28)10-12-20)24(30-25)17-5-7-18(27)8-6-17;1-16(33)35-15-36-22-4-2-3-21(13-22)32-25-23(14-29-32)26(34)31(20-11-9-19(28)10-12-20)24(30-25)17-5-7-18(27)8-6-17;1-33(32)20-4-2-3-19(13-20)30-23-21(14-27-30)24(31)29(18-11-9-17(26)10-12-18)22(28-23)15-5-7-16(25)8-6-15;1-32-20-4-2-3-19(13-20)30-23-21(14-27-30)24(31)29(18-11-9-17(26)10-12-18)22(28-23)15-5-7-16(25)8-6-15;24-15-6-4-14(5-7-15)21-27-22-20(23(30)28(21)17-10-8-16(25)9-11-17)13-26-29(22)18-2-1-3-19(12-18)33(31)32;/h2-14H,15H2,1H3;2-14H,15H2,1H3;2-14H,1H3;2-14H,1H3;1-13H,(H,31,32);/q;;;;;+1/p-1
• InChIKey: RUYPRKAXWZMBCM-UHFFFAOYSA-M
• XLogP: 24.88
• TPSA: 407.49 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2823.24
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate?

The IUPAC name of sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate (CID 160736042) is sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate.

What is the SMILES notation for sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate?

The canonical SMILES for sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate is CC(=O)OCS(=O)(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.CC(=O)OCSc1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.CS(=O)c1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.CSc1cccc(-n2ncc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(Br)cc4)nc32)c1.O=c1c2cnn(-c3cccc(S(=O)[O-])c3)c2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1.[Na+].

What is the InChIKey of sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate?

The InChIKey is RUYPRKAXWZMBCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H18BrClN4O5S.C26H18BrClN4O3S.C24H16BrClN4O2S.C24H16BrClN4OS.C23H14BrClN4O3S.Na/c1-16(33)37-15-38(35,36)22-4-2-3-21(13-22)32-25-23(14-29-32)26(34)31(20-11-9-19(28)10-12-20)24(30-25)17-5-7-18(27)8-6-17;1-16(33)35-15-36-22-4-2-3-21(13-22)32-25-23(14-29-32)26(34)31(20-11-9-19(28)10-12-20)24(30-25)17-5-7-18(27)8-6-17;1-33(32)20-4-2-3-19(13-20)30-23-21(14-27-30)24(31)29(18-11-9-17(26)10-12-18)22(28-23)15-5-7-16(25)8-6-15;1-32-20-4-2-3-19(13-20)30-23-21(14-27-30)24(31)29(18-11-9-17(26)10-12-18)22(28-23)15-5-7-16(25)8-6-15;24-15-6-4-14(5-7-15)21-27-22-20(23(30)28(21)17-10-8-16(25)9-11-17)13-26-29(22)18-2-1-3-19(12-18)33(31)32;/h2-14H,15H2,1H3;2-14H,15H2,1H3;2-14H,1H3;2-14H,1H3;1-13H,(H,31,32);/q;;;;;+1/p-1.

What are the key properties of sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate?

sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate has a molecular weight of 2823.24 g/mol, XLogP of 24.88, 24 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;6-(4-bromophenyl)-5-(4-chlorophenyl)-1-(3-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfinate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfanylmethyl acetate;[3-[6-(4-bromophenyl)-5-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]sulfonylmethyl acetate is sourced from PubChem (CID 160736042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).