bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide

C97H110N30O5S — CID 157224832

About bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide

bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide (PubChem CID 157224832) has the molecular formula C97H110N30O5S and a molecular weight of 1808.22 g/mol. Its IUPAC name is bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide
• PubChem CID: 157224832
• Molecular Formula: C97H110N30O5S
• Molecular Weight: 1808.22 g/mol
• Exact Mass: 1806.90
• IUPAC Name: bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide
• SMILES: Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(N4CCCCC4)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(N4CCCCC4)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNS(=O)(=O)c3ccccn3)c3ncnc(N)c23)cc1
• InChI: InChI=1S/2C27H32N8O.C22H23N7O.C21H23N7O2S/c2*1-18-7-9-19(10-8-18)23-22-24(28)31-17-32-25(22)35(33-23)27(2,3)16-30-26(36)21-15-20(11-12-29-21)34-13-5-4-6-14-34;1-14-4-6-15(7-5-14)18-17-19(23)26-13-27-20(17)29(28-18)22(2,3)12-25-21(30)16-8-10-24-11-9-16;1-14-7-9-15(10-8-14)18-17-19(22)24-13-25-20(17)28(27-18)21(2,3)12-26-31(29,30)16-6-4-5-11-23-16/h2*7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,30,36)(H2,28,31,32);4-11,13H,12H2,1-3H3,(H,25,30)(H2,23,26,27);4-11,13,26H,12H2,1-3H3,(H2,22,24,25)
• InChIKey: ATKOGLFLZWEDJY-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 469.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1808.22
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide?

The IUPAC name of bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide (CID 157224832) is bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide.

What is the SMILES notation for bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide?

The canonical SMILES for bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide is Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(N4CCCCC4)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3cc(N4CCCCC4)ccn3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncc3)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNS(=O)(=O)c3ccccn3)c3ncnc(N)c23)cc1.

What is the InChIKey of bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide?

The InChIKey is ATKOGLFLZWEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H32N8O.C22H23N7O.C21H23N7O2S/c2*1-18-7-9-19(10-8-18)23-22-24(28)31-17-32-25(22)35(33-23)27(2,3)16-30-26(36)21-15-20(11-12-29-21)34-13-5-4-6-14-34;1-14-4-6-15(7-5-14)18-17-19(23)26-13-27-20(17)29(28-18)22(2,3)12-25-21(30)16-8-10-24-11-9-16;1-14-7-9-15(10-8-14)18-17-19(22)24-13-25-20(17)28(27-18)21(2,3)12-26-31(29,30)16-6-4-5-11-23-16/h2*7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,30,36)(H2,28,31,32);4-11,13H,12H2,1-3H3,(H,25,30)(H2,23,26,27);4-11,13,26H,12H2,1-3H3,(H2,22,24,25).

What are the key properties of bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide?

bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide has a molecular weight of 1808.22 g/mol, XLogP of 13.31, 23 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-piperidin-1-ylpyridine-2-carboxamide);N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-4-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyridine-2-sulfonamide is sourced from PubChem (CID 157224832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).