N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide

C93H95ClN28O4S — CID 157278751

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 157278751) has the molecular formula C93H95ClN28O4S and a molecular weight of 1736.49 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 157278751
• Molecular Formula: C93H95ClN28O4S
• Molecular Weight: 1736.49 g/mol
• Exact Mass: 1734.75
• IUPAC Name: N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccccc4)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(C)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(Cl)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cscn3)c3ncnc(N)c23)cc1
• InChI: InChI=1S/C28H27N7O.C23H25N7O.C22H22ClN7O.C20H21N7OS/c1-18-9-11-20(12-10-18)24-23-25(29)32-17-33-26(23)35(34-24)28(2,3)16-31-27(36)22-15-21(13-14-30-22)19-7-5-4-6-8-19;1-14-5-7-16(8-6-14)19-18-20(24)27-13-28-21(18)30(29-19)23(3,4)12-26-22(31)17-11-15(2)9-10-25-17;1-13-4-6-14(7-5-13)18-17-19(24)27-12-28-20(17)30(29-18)22(2,3)11-26-21(31)16-10-15(23)8-9-25-16;1-12-4-6-13(7-5-12)16-15-17(21)23-10-24-18(15)27(26-16)20(2,3)9-22-19(28)14-8-29-11-25-14/h4-15,17H,16H2,1-3H3,(H,31,36)(H2,29,32,33);5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28);4-10,12H,11H2,1-3H3,(H,26,31)(H2,24,27,28);4-8,10-11H,9H2,1-3H3,(H,22,28)(H2,21,23,24)
• InChIKey: AZKIRRCZNAWICX-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 446.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1736.49
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

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]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide (CID 157278751) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(-c4ccccc4)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(C)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(Cl)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cscn3)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]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide?

The InChIKey is AZKIRRCZNAWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O.C23H25N7O.C22H22ClN7O.C20H21N7OS/c1-18-9-11-20(12-10-18)24-23-25(29)32-17-33-26(23)35(34-24)28(2,3)16-31-27(36)22-15-21(13-14-30-22)19-7-5-4-6-8-19;1-14-5-7-16(8-6-14)19-18-20(24)27-13-28-21(18)30(29-19)23(3,4)12-26-22(31)17-11-15(2)9-10-25-17;1-13-4-6-14(7-5-13)18-17-19(24)27-12-28-20(17)30(29-18)22(2,3)11-26-21(31)16-10-15(23)8-9-25-16;1-12-4-6-13(7-5-12)16-15-17(21)23-10-24-18(15)27(26-16)20(2,3)9-22-19(28)14-8-29-11-25-14/h4-15,17H,16H2,1-3H3,(H,31,36)(H2,29,32,33);5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28);4-10,12H,11H2,1-3H3,(H,26,31)(H2,24,27,28);4-8,10-11H,9H2,1-3H3,(H,22,28)(H2,21,23,24).

What are the key properties of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide?

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 1736.49 g/mol, XLogP of 14.47, 21 rotatable bonds, 8 hydrogen bond donors, and 29 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]-4-chloropyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-phenylpyridine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157278751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).