N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one

C105H101N27O10 — CID 158276448

About N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one

N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one (PubChem CID 158276448) has the molecular formula C105H101N27O10 and a molecular weight of 1901.14 g/mol. Its IUPAC name is N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one.

Molecular Properties

• Compound Name: N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
• PubChem CID: 158276448
• Molecular Formula: C105H101N27O10
• Molecular Weight: 1901.14 g/mol
• Exact Mass: 1899.82
• IUPAC Name: N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
• SMILES: CC(=O)N(O)CCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12.Cc1ccccc1-n1c(Cn2nc(CC(=O)N(C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(CC(=O)N3CCOCC3)c3c(N)ncnc32)cc2cccc(C)c2c1=O.Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)cc2cccc(C)c2c1=O
• InChI: InChI=1S/C29H29N7O3.C27H27N7O3.C26H25N7O3.C23H20N6O/c1-18-6-3-4-9-23(18)36-21(14-20-8-5-7-19(2)25(20)29(36)38)16-35-28-26(27(30)31-17-32-28)22(33-35)15-24(37)34-10-12-39-13-11-34;1-16-7-4-5-10-22(16)34-20(13-19-9-6-8-17(2)23(19)27(34)36)14-32-26-24(25(28)29-15-30-26)21(31-32)11-12-33(37)18(3)35;1-15-7-4-5-10-20(15)33-18(11-17-9-6-8-16(2)22(17)26(33)35)13-32-25-23(24(27)28-14-29-25)19(30-32)12-21(34)31(3)36;1-14-6-3-4-9-19(14)29-17(10-16-8-5-7-15(2)20(16)23(29)30)12-28-22-18(11-27-28)21(24)25-13-26-22/h3-9,14,17H,10-13,15-16H2,1-2H3,(H2,30,31,32);4-10,13,15,37H,11-12,14H2,1-3H3,(H2,28,29,30);4-11,14,36H,12-13H2,1-3H3,(H2,27,28,29);3-11,13H,12H2,1-2H3,(H2,24,25,26)
• InChIKey: GJQXGUPNFVZAOZ-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 477.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.14
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one?

The IUPAC name of N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one (CID 158276448) is N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one.

What is the SMILES notation for N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one?

The canonical SMILES for N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one is CC(=O)N(O)CCc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12.Cc1ccccc1-n1c(Cn2nc(CC(=O)N(C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O.Cc1ccccc1-n1c(Cn2nc(CC(=O)N3CCOCC3)c3c(N)ncnc32)cc2cccc(C)c2c1=O.Cc1ccccc1-n1c(Cn2ncc3c(N)ncnc32)cc2cccc(C)c2c1=O.

What is the InChIKey of N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one?

The InChIKey is GJQXGUPNFVZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3.C27H27N7O3.C26H25N7O3.C23H20N6O/c1-18-6-3-4-9-23(18)36-21(14-20-8-5-7-19(2)25(20)29(36)38)16-35-28-26(27(30)31-17-32-28)22(33-35)15-24(37)34-10-12-39-13-11-34;1-16-7-4-5-10-22(16)34-20(13-19-9-6-8-17(2)23(19)27(34)36)14-32-26-24(25(28)29-15-30-26)21(31-32)11-12-33(37)18(3)35;1-15-7-4-5-10-20(15)33-18(11-17-9-6-8-16(2)22(17)26(33)35)13-32-25-23(24(27)28-14-29-25)19(30-32)12-21(34)31(3)36;1-14-6-3-4-9-19(14)29-17(10-16-8-5-7-15(2)20(16)23(29)30)12-28-22-18(11-27-28)21(24)25-13-26-22/h3-9,14,17H,10-13,15-16H2,1-2H3,(H2,30,31,32);4-10,13,15,37H,11-12,14H2,1-3H3,(H2,28,29,30);4-11,14,36H,12-13H2,1-3H3,(H2,27,28,29);3-11,13H,12H2,1-2H3,(H2,24,25,26).

What are the key properties of N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one?

N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one has a molecular weight of 1901.14 g/mol, XLogP of 12.08, 19 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]ethyl]-N-hydroxyacetamide;2-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-hydroxy-N-methylacetamide;3-[[4-amino-3-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one is sourced from PubChem (CID 158276448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).