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

C97H111N25O10 — CID 157121890

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

N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (PubChem CID 157121890) has the molecular formula C97H111N25O10 and a molecular weight of 1787.12 g/mol. Its IUPAC name is N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.

Molecular Properties

• Compound Name: N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
• PubChem CID: 157121890
• Molecular Formula: C97H111N25O10
• Molecular Weight: 1787.12 g/mol
• Exact Mass: 1785.89
• IUPAC Name: N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
• SMILES: CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCCCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4cccc(OCCN5CCOCC5)c4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2cccc(-n3nc(-c4ccc(OCCN5CCCCC5)cc4)c4c(N)ncnc43)c2)no1
• InChI: InChI=1S/C33H38N8O3.C32H37N9O3.C32H36N8O4/c1-33(2,3)27-19-24(39-44-27)20-28(42)37-23-9-11-25(12-10-23)41-32-29(31(34)35-21-36-32)30(38-41)22-7-13-26(14-8-22)43-18-17-40-15-5-4-6-16-40;1-32(2,3)25-19-26(39-44-25)37-31(42)36-22-8-7-9-23(18-22)41-30-27(29(33)34-20-35-30)28(38-41)21-10-12-24(13-11-21)43-17-16-40-14-5-4-6-15-40;1-32(2,3)26-18-23(38-44-26)19-27(41)36-22-7-9-24(10-8-22)40-31-28(30(33)34-20-35-31)29(37-40)21-5-4-6-25(17-21)43-16-13-39-11-14-42-15-12-39/h7-14,19,21H,4-6,15-18,20H2,1-3H3,(H,37,42)(H2,34,35,36);7-13,18-20H,4-6,14-17H2,1-3H3,(H2,33,34,35)(H2,36,37,39,42);4-10,17-18,20H,11-16,19H2,1-3H3,(H,36,41)(H2,33,34,35)
• InChIKey: AIBKRRMOGKABBJ-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 432.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1787.12
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (CID 157121890) is N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.

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

The canonical SMILES for N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCCCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4cccc(OCCN5CCOCC5)c4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2cccc(-n3nc(-c4ccc(OCCN5CCCCC5)cc4)c4c(N)ncnc43)c2)no1.

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

The InChIKey is AIBKRRMOGKABBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O3.C32H37N9O3.C32H36N8O4/c1-33(2,3)27-19-24(39-44-27)20-28(42)37-23-9-11-25(12-10-23)41-32-29(31(34)35-21-36-32)30(38-41)22-7-13-26(14-8-22)43-18-17-40-15-5-4-6-16-40;1-32(2,3)25-19-26(39-44-25)37-31(42)36-22-8-7-9-23(18-22)41-30-27(29(33)34-20-35-30)28(38-41)21-10-12-24(13-11-21)43-17-16-40-14-5-4-6-15-40;1-32(2,3)26-18-23(38-44-26)19-27(41)36-22-7-9-24(10-8-22)40-31-28(30(33)34-20-35-31)29(37-40)21-5-4-6-25(17-21)43-16-13-39-11-14-42-15-12-39/h7-14,19,21H,4-6,15-18,20H2,1-3H3,(H,37,42)(H2,34,35,36);7-13,18-20H,4-6,14-17H2,1-3H3,(H2,33,34,35)(H2,36,37,39,42);4-10,17-18,20H,11-16,19H2,1-3H3,(H,36,41)(H2,33,34,35).

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

N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea has a molecular weight of 1787.12 g/mol, XLogP of 15.50, 26 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)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-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 157121890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).