N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate

C91H97ClN26O5 — CID 159122488

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate (PubChem CID 159122488) has the molecular formula C91H97ClN26O5 and a molecular weight of 1670.41 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate.

Molecular Properties

• Compound Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate
• PubChem CID: 159122488
• Molecular Formula: C91H97ClN26O5
• Molecular Weight: 1670.41 g/mol
• Exact Mass: 1668.78
• IUPAC Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate
• SMILES: CC(C)(CNC(=O)OCc1ccccc1)n1nc(-c2ccc(Cl)cc2)c(C#N)c1N.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccc(C)cn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccc3C)c3ncnc(N)c23)cc1
• InChI: InChI=1S/3C23H25N7O.C22H22ClN5O2/c1-14-5-8-16(9-6-14)19-18-20(24)27-13-28-21(18)30(29-19)23(3,4)12-26-22(31)17-10-7-15(2)11-25-17;1-14-7-9-16(10-8-14)19-17-20(24)27-13-28-21(17)30(29-19)23(3,4)12-26-22(31)18-15(2)6-5-11-25-18;1-14-8-10-16(11-9-14)19-18-20(24)26-13-27-21(18)30(29-19)23(3,4)12-25-22(31)17-7-5-6-15(2)28-17;1-22(2,14-26-21(29)30-13-15-6-4-3-5-7-15)28-20(25)18(12-24)19(27-28)16-8-10-17(23)11-9-16/h2*5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28);5-11,13H,12H2,1-4H3,(H,25,31)(H2,24,26,27);3-11H,13-14,25H2,1-2H3,(H,26,29)
• InChIKey: KFWFWTAWKZGVLO-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 440.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1670.41
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate?

The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate (CID 159122488) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate.

What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate?

The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate is CC(C)(CNC(=O)OCc1ccccc1)n1nc(-c2ccc(Cl)cc2)c(C#N)c1N.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccc(C)cn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cccc(C)n3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ncccc3C)c3ncnc(N)c23)cc1.

What is the InChIKey of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate?

The InChIKey is KFWFWTAWKZGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H25N7O.C22H22ClN5O2/c1-14-5-8-16(9-6-14)19-18-20(24)27-13-28-21(18)30(29-19)23(3,4)12-26-22(31)17-10-7-15(2)11-25-17;1-14-7-9-16(10-8-14)19-17-20(24)27-13-28-21(17)30(29-19)23(3,4)12-26-22(31)18-15(2)6-5-11-25-18;1-14-8-10-16(11-9-14)19-18-20(24)26-13-27-21(18)30(29-19)23(3,4)12-25-22(31)17-7-5-6-15(2)28-17;1-22(2,14-26-21(29)30-13-15-6-4-3-5-7-15)28-20(25)18(12-24)19(27-28)16-8-10-17(23)11-9-16/h2*5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28);5-11,13H,12H2,1-4H3,(H,25,31)(H2,24,26,27);3-11H,13-14,25H2,1-2H3,(H,26,29).

What are the key properties of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate?

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate has a molecular weight of 1670.41 g/mol, XLogP of 14.08, 21 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-5-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide;benzyl N-[2-[5-amino-3-(4-chlorophenyl)-4-cyanopyrazol-1-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 159122488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).