N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide

C155H145F2N39O7S2 — CID 158864296

About N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide (PubChem CID 158864296) has the molecular formula C155H145F2N39O7S2 and a molecular weight of 2768.26 g/mol. Its IUPAC name is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide
• PubChem CID: 158864296
• Molecular Formula: C155H145F2N39O7S2
• Molecular Weight: 2768.26 g/mol
• Exact Mass: 2766.16
• IUPAC Name: N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide
• SMILES: Cc1ccccc1C(=O)NCc1c(F)cc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1F.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4[nH]3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3ccc4ccccc4n3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nc4ccccc4s3)cc1)nn2C1CCCC1
• InChI: InChI=1S/C27H25N7O.C26H25N7O.C26H24N6O2.C26H24N6OS.C25H24F2N6O.C25H23N7OS/c28-25-23-24(33-34(20-6-2-3-7-20)26(23)31-16-30-25)19-11-9-17(10-12-19)15-29-27(35)22-14-13-18-5-1-4-8-21(18)32-22;27-24-22-23(32-33(19-6-2-3-7-19)25(22)30-15-29-24)17-11-9-16(10-12-17)14-28-26(34)21-13-18-5-1-4-8-20(18)31-21;2*27-24-22-23(31-32(19-6-2-3-7-19)25(22)30-15-29-24)17-11-9-16(10-12-17)14-28-26(33)21-13-18-5-1-4-8-20(18)34-21;1-14-6-2-5-9-17(14)25(34)29-12-18-19(26)10-15(11-20(18)27)22-21-23(28)30-13-31-24(21)33(32-22)16-7-3-4-8-16;26-22-20-21(31-32(17-5-1-2-6-17)23(20)29-14-28-22)16-11-9-15(10-12-16)13-27-24(33)25-30-18-7-3-4-8-19(18)34-25/h1,4-5,8-14,16,20H,2-3,6-7,15H2,(H,29,35)(H2,28,30,31);1,4-5,8-13,15,19,31H,2-3,6-7,14H2,(H,28,34)(H2,27,29,30);2*1,4-5,8-13,15,19H,2-3,6-7,14H2,(H,28,33)(H2,27,29,30);2,5-6,9-11,13,16H,3-4,7-8,12H2,1H3,(H,29,34)(H2,28,30,31);3-4,7-12,14,17H,1-2,5-6,13H2,(H,27,33)(H2,26,28,29)
• InChIKey: JBAPATVFEKYWRC-UHFFFAOYSA-N
• XLogP: 28.91
• TPSA: 647.03 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2768.26
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?

The IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide (CID 158864296) is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide.

What is the SMILES notation for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?

The canonical SMILES for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide is Cc1ccccc1C(=O)NCc1c(F)cc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1F.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4[nH]3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4o3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4s3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3ccc4ccccc4n3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3nc4ccccc4s3)cc1)nn2C1CCCC1.

What is the InChIKey of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?

The InChIKey is JBAPATVFEKYWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O.C26H25N7O.C26H24N6O2.C26H24N6OS.C25H24F2N6O.C25H23N7OS/c28-25-23-24(33-34(20-6-2-3-7-20)26(23)31-16-30-25)19-11-9-17(10-12-19)15-29-27(35)22-14-13-18-5-1-4-8-21(18)32-22;27-24-22-23(32-33(19-6-2-3-7-19)25(22)30-15-29-24)17-11-9-16(10-12-17)14-28-26(34)21-13-18-5-1-4-8-20(18)31-21;2*27-24-22-23(31-32(19-6-2-3-7-19)25(22)30-15-29-24)17-11-9-16(10-12-17)14-28-26(33)21-13-18-5-1-4-8-20(18)34-21;1-14-6-2-5-9-17(14)25(34)29-12-18-19(26)10-15(11-20(18)27)22-21-23(28)30-13-31-24(21)33(32-22)16-7-3-4-8-16;26-22-20-21(31-32(17-5-1-2-6-17)23(20)29-14-28-22)16-11-9-15(10-12-16)13-27-24(33)25-30-18-7-3-4-8-19(18)34-25/h1,4-5,8-14,16,20H,2-3,6-7,15H2,(H,29,35)(H2,28,30,31);1,4-5,8-13,15,19,31H,2-3,6-7,14H2,(H,28,34)(H2,27,29,30);2*1,4-5,8-13,15,19H,2-3,6-7,14H2,(H,28,33)(H2,27,29,30);2,5-6,9-11,13,16H,3-4,7-8,12H2,1H3,(H,29,34)(H2,28,30,31);3-4,7-12,14,17H,1-2,5-6,13H2,(H,27,33)(H2,26,28,29).

What are the key properties of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide?

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 2768.26 g/mol, XLogP of 28.91, 30 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1,3-benzothiazole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1-benzothiophene-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-1H-indole-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158864296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).