N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C81H80BrCl4N25O4 — CID 160553772

About N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 160553772) has the molecular formula C81H80BrCl4N25O4 and a molecular weight of 1689.42 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 160553772
• Molecular Formula: C81H80BrCl4N25O4
• Molecular Weight: 1689.42 g/mol
• Exact Mass: 1685.48
• IUPAC Name: N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)(CNBr)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.CC(C)(CNC(=O)OCc1ccccc1)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.CC(C)(CNC(=O)c1ccccc1)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.CC(C)(CNC(=O)c1ccccn1)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
• InChI: InChI=1S/C23H23ClN6O2.C22H21ClN6O.C21H20ClN7O.C15H16BrClN6/c1-23(2,13-26-22(31)32-12-15-6-4-3-5-7-15)30-21-18(20(25)27-14-28-21)19(29-30)16-8-10-17(24)11-9-16;1-22(2,12-25-21(30)15-6-4-3-5-7-15)29-20-17(19(24)26-13-27-20)18(28-29)14-8-10-16(23)11-9-14;1-21(2,11-25-20(30)15-5-3-4-10-24-15)29-19-16(18(23)26-12-27-19)17(28-29)13-6-8-14(22)9-7-13;1-15(2,7-21-16)23-14-11(13(18)19-8-20-14)12(22-23)9-3-5-10(17)6-4-9/h3-11,14H,12-13H2,1-2H3,(H,26,31)(H2,25,27,28);3-11,13H,12H2,1-2H3,(H,25,30)(H2,24,26,27);3-10,12H,11H2,1-2H3,(H,25,30)(H2,23,26,27);3-6,8,21H,7H2,1-2H3,(H2,18,19,20)
• InChIKey: QYKKGLTVEMYSPW-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 399.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.42
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 160553772) is N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(CNBr)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.CC(C)(CNC(=O)OCc1ccccc1)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.CC(C)(CNC(=O)c1ccccc1)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.CC(C)(CNC(=O)c1ccccn1)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.

What is the InChIKey of N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is QYKKGLTVEMYSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2.C22H21ClN6O.C21H20ClN7O.C15H16BrClN6/c1-23(2,13-26-22(31)32-12-15-6-4-3-5-7-15)30-21-18(20(25)27-14-28-21)19(29-30)16-8-10-17(24)11-9-16;1-22(2,12-25-21(30)15-6-4-3-5-7-15)29-20-17(19(24)26-13-27-20)18(28-29)14-8-10-16(23)11-9-14;1-21(2,11-25-20(30)15-5-3-4-10-24-15)29-19-16(18(23)26-12-27-19)17(28-29)13-6-8-14(22)9-7-13;1-15(2,7-21-16)23-14-11(13(18)19-8-20-14)12(22-23)9-3-5-10(17)6-4-9/h3-11,14H,12-13H2,1-2H3,(H,26,31)(H2,25,27,28);3-11,13H,12H2,1-2H3,(H,25,30)(H2,24,26,27);3-10,12H,11H2,1-2H3,(H,25,30)(H2,23,26,27);3-6,8,21H,7H2,1-2H3,(H2,18,19,20).

What are the key properties of N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1689.42 g/mol, XLogP of 14.94, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]benzamide;N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-carboxamide;benzyl N-[2-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]carbamate;1-[1-(bromoamino)-2-methylpropan-2-yl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160553772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).