7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine

C89H80BrN19O6 — CID 158890033

About 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine

7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 158890033) has the molecular formula C89H80BrN19O6 and a molecular weight of 1591.65 g/mol. Its IUPAC name is 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158890033
• Molecular Formula: C89H80BrN19O6
• Molecular Weight: 1591.65 g/mol
• Exact Mass: 1589.57
• IUPAC Name: 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
• SMILES: C.COc1cccc(-c2nn(Cc3cc4nccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1.COc1cccc(C2=NCc3ncnc(N)c32)c1.Cc1ccccc1-n1c(CBr)cc2cccc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2nccc(C)c2c1=O
• InChI: InChI=1S/C29H25N7O2.C28H23N7O2.C18H16BrNO.C13H12N4O.CH4/c1-17-7-4-5-10-23(17)36-20(14-22-24(29(36)37)18(2)11-12-31-22)15-35-28-25(27(30)32-16-33-28)26(34-35)19-8-6-9-21(13-19)38-3;1-16-6-3-4-9-22(16)35-19(13-21-23(28(35)37)17(2)10-11-30-21)14-34-27-24(26(29)31-15-32-27)25(33-34)18-7-5-8-20(36)12-18;1-12-6-3-4-9-16(12)20-15(11-19)10-14-8-5-7-13(2)17(14)18(20)21;1-18-9-4-2-3-8(5-9)12-11-10(6-15-12)16-7-17-13(11)14;/h4-14,16H,15H2,1-3H3,(H2,30,32,33);3-13,15,36H,14H2,1-2H3,(H2,29,31,32);3-10H,11H2,1-2H3;2-5,7H,6H2,1H3,(H2,14,16,17);1H4
• InChIKey: JECOPSOMDMBWBU-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 333.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.65
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 158890033) is 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine is C.COc1cccc(-c2nn(Cc3cc4nccc(C)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)c1.COc1cccc(C2=NCc3ncnc(N)c32)c1.Cc1ccccc1-n1c(CBr)cc2cccc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2nccc(C)c2c1=O.

What is the InChIKey of 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?

The InChIKey is JECOPSOMDMBWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O2.C28H23N7O2.C18H16BrNO.C13H12N4O.CH4/c1-17-7-4-5-10-23(17)36-20(14-22-24(29(36)37)18(2)11-12-31-22)15-35-28-25(27(30)32-16-33-28)26(34-35)19-8-6-9-21(13-19)38-3;1-16-6-3-4-9-22(16)35-19(13-21-23(28(35)37)17(2)10-11-30-21)14-34-27-24(26(29)31-15-32-27)25(33-34)18-7-5-8-20(36)12-18;1-12-6-3-4-9-16(12)20-15(11-19)10-14-8-5-7-13(2)17(14)18(20)21;1-18-9-4-2-3-8(5-9)12-11-10(6-15-12)16-7-17-13(11)14;/h4-14,16H,15H2,1-3H3,(H2,30,32,33);3-13,15,36H,14H2,1-2H3,(H2,29,31,32);3-10H,11H2,1-2H3;2-5,7H,6H2,1H3,(H2,14,16,17);1H4.

What are the key properties of 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?

7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1591.65 g/mol, XLogP of 15.15, 13 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158890033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).