N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide

C75H75FN18O5 — CID 160919151

About N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide

N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide (PubChem CID 160919151) has the molecular formula C75H75FN18O5 and a molecular weight of 1327.54 g/mol. Its IUPAC name is N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide
• PubChem CID: 160919151
• Molecular Formula: C75H75FN18O5
• Molecular Weight: 1327.54 g/mol
• Exact Mass: 1326.62
• IUPAC Name: N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide
• SMILES: Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3C=CC(O)C3)c3ncnc(N)c23)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CC(O)C4CC43)c3ncnc(N)c23)cc1
• InChI: InChI=1S/C26H26N6O2.C25H24N6O2.C24H25FN6O/c1-14-4-2-3-5-17(14)26(34)28-12-15-6-8-16(9-7-15)23-22-24(27)29-13-30-25(22)32(31-23)20-11-21(33)19-10-18(19)20;1-15-4-2-3-5-20(15)25(33)27-13-16-6-8-17(9-7-16)22-21-23(26)28-14-29-24(21)31(30-22)18-10-11-19(32)12-18;1-14-5-10-17(25)11-18(14)23(32)27-12-15-6-8-16(9-7-15)20-19-21(26)28-13-29-22(19)31(30-20)24(2,3)4/h2-9,13,18-21,33H,10-12H2,1H3,(H,28,34)(H2,27,29,30);2-11,14,18-19,32H,12-13H2,1H3,(H,27,33)(H2,26,28,29);5-11,13H,12H2,1-4H3,(H,27,32)(H2,26,28,29)
• InChIKey: SRULIFTXCCCIRV-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 336.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1327.54
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide?

The IUPAC name of N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide (CID 160919151) is N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide.

What is the SMILES notation for N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide?

The canonical SMILES for N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3C=CC(O)C3)c3ncnc(N)c23)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CC(O)C4CC43)c3ncnc(N)c23)cc1.

What is the InChIKey of N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide?

The InChIKey is SRULIFTXCCCIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H24N6O2.C24H25FN6O/c1-14-4-2-3-5-17(14)26(34)28-12-15-6-8-16(9-7-15)23-22-24(27)29-13-30-25(22)32(31-23)20-11-21(33)19-10-18(19)20;1-15-4-2-3-5-20(15)25(33)27-13-16-6-8-17(9-7-16)22-21-23(26)28-14-29-24(21)31(30-22)18-10-11-19(32)12-18;1-14-5-10-17(25)11-18(14)23(32)27-12-15-6-8-16(9-7-15)20-19-21(26)28-13-29-22(19)31(30-20)24(2,3)4/h2-9,13,18-21,33H,10-12H2,1H3,(H,28,34)(H2,27,29,30);2-11,14,18-19,32H,12-13H2,1H3,(H,27,33)(H2,26,28,29);5-11,13H,12H2,1-4H3,(H,27,32)(H2,26,28,29).

What are the key properties of N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide?

N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 1327.54 g/mol, XLogP of 10.64, 14 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxy-2-bicyclo[3.1.0]hexanyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 160919151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).