N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

C97H109N23O7 — CID 157072507

About N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 157072507) has the molecular formula C97H109N23O7 and a molecular weight of 1709.09 g/mol. Its IUPAC name is N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 157072507
• Molecular Formula: C97H109N23O7
• Molecular Weight: 1709.09 g/mol
• Exact Mass: 1707.89
• IUPAC Name: N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
• SMILES: CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(C5CCCCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(C5CCN(CCO)CC5)cc4)c4c(N)ncnc43)cc2)no1.CN1CCC(c2ccc(-c3nn(-c4ccc(NC(=O)Cc5cc(C(C)(C)C)on5)cc4)c4ncnc(N)c34)cc2)CC1
• InChI: InChI=1S/C33H38N8O3.C32H36N8O2.C32H35N7O2/c1-33(2,3)27-18-25(39-44-27)19-28(43)37-24-8-10-26(11-9-24)41-32-29(31(34)35-20-36-32)30(38-41)23-6-4-21(5-7-23)22-12-14-40(15-13-22)16-17-42;1-32(2,3)26-17-24(38-42-26)18-27(41)36-23-9-11-25(12-10-23)40-31-28(30(33)34-19-35-31)29(37-40)22-7-5-20(6-8-22)21-13-15-39(4)16-14-21;1-32(2,3)26-17-24(38-41-26)18-27(40)36-23-13-15-25(16-14-23)39-31-28(30(33)34-19-35-31)29(37-39)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-11,18,20,22,42H,12-17,19H2,1-3H3,(H,37,43)(H2,34,35,36);5-12,17,19,21H,13-16,18H2,1-4H3,(H,36,41)(H2,33,34,35);9-17,19-20H,4-8,18H2,1-3H3,(H,36,40)(H2,33,34,35)
• InChIKey: ACPAVRSDILMYHG-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 400.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1709.09
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 157072507) is N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(C5CCCCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(C5CCN(CCO)CC5)cc4)c4c(N)ncnc43)cc2)no1.CN1CCC(c2ccc(-c3nn(-c4ccc(NC(=O)Cc5cc(C(C)(C)C)on5)cc4)c4ncnc(N)c34)cc2)CC1.

What is the InChIKey of N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is ACPAVRSDILMYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O3.C32H36N8O2.C32H35N7O2/c1-33(2,3)27-18-25(39-44-27)19-28(43)37-24-8-10-26(11-9-24)41-32-29(31(34)35-20-36-32)30(38-41)23-6-4-21(5-7-23)22-12-14-40(15-13-22)16-17-42;1-32(2,3)26-17-24(38-42-26)18-27(41)36-23-9-11-25(12-10-23)40-31-28(30(33)34-19-35-31)29(37-40)22-7-5-20(6-8-22)21-13-15-39(4)16-14-21;1-32(2,3)26-17-24(38-41-26)18-27(40)36-23-13-15-25(16-14-23)39-31-28(30(33)34-19-35-31)29(37-39)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-11,18,20,22,42H,12-17,19H2,1-3H3,(H,37,43)(H2,34,35,36);5-12,17,19,21H,13-16,18H2,1-4H3,(H,36,41)(H2,33,34,35);9-17,19-20H,4-8,18H2,1-3H3,(H,36,40)(H2,33,34,35).

What are the key properties of N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 1709.09 g/mol, XLogP of 16.62, 20 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 157072507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).