4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

C98H107N25O11 — CID 157316187

About 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 157316187) has the molecular formula C98H107N25O11 and a molecular weight of 1811.10 g/mol. Its IUPAC name is 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 157316187
• Molecular Formula: C98H107N25O11
• Molecular Weight: 1811.10 g/mol
• Exact Mass: 1809.86
• IUPAC Name: 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)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(C(=O)NC5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(C(=O)NN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)C1CCN(C(=O)c2ccc(-c3nn(-c4ccc(NC(=O)Cc5cc(C(C)(C)C)on5)cc4)c4ncnc(N)c34)cc2)CC1
• InChI: InChI=1S/C35H40N8O3.C32H34N8O4.C31H33N9O4/c1-21(2)22-14-16-42(17-15-22)34(45)24-8-6-23(7-9-24)31-30-32(36)37-20-38-33(30)43(40-31)27-12-10-25(11-13-27)39-29(44)19-26-18-28(46-41-26)35(3,4)5;1-32(2,3)25-16-23(39-44-25)17-26(41)36-21-8-10-24(11-9-21)40-30-27(29(33)34-18-35-30)28(38-40)19-4-6-20(7-5-19)31(42)37-22-12-14-43-15-13-22;1-31(2,3)24-16-22(38-44-24)17-25(41)35-21-8-10-23(11-9-21)40-29-26(28(32)33-18-34-29)27(36-40)19-4-6-20(7-5-19)30(42)37-39-12-14-43-15-13-39/h6-13,18,20-22H,14-17,19H2,1-5H3,(H,39,44)(H2,36,37,38);4-11,16,18,22H,12-15,17H2,1-3H3,(H,36,41)(H,37,42)(H2,33,34,35);4-11,16,18H,12-15,17H2,1-3H3,(H,35,41)(H,37,42)(H2,32,33,34)
• InChIKey: BDPUVRQSAXRIOK-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 474.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.10
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 157316187) is 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)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 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)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(C(=O)NC5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(C(=O)NN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)C1CCN(C(=O)c2ccc(-c3nn(-c4ccc(NC(=O)Cc5cc(C(C)(C)C)on5)cc4)c4ncnc(N)c34)cc2)CC1.

What is the InChIKey of 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is BDPUVRQSAXRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N8O3.C32H34N8O4.C31H33N9O4/c1-21(2)22-14-16-42(17-15-22)34(45)24-8-6-23(7-9-24)31-30-32(36)37-20-38-33(30)43(40-31)27-12-10-25(11-13-27)39-29(44)19-26-18-28(46-41-26)35(3,4)5;1-32(2,3)25-16-23(39-44-25)17-26(41)36-21-8-10-24(11-9-21)40-30-27(29(33)34-18-35-30)28(38-40)19-4-6-20(7-5-19)31(42)37-22-12-14-43-15-13-22;1-31(2,3)24-16-22(38-44-24)17-25(41)35-21-8-10-23(11-9-21)40-29-26(28(32)33-18-34-29)27(36-40)19-4-6-20(7-5-19)30(42)37-39-12-14-43-15-13-39/h6-13,18,20-22H,14-17,19H2,1-5H3,(H,39,44)(H2,36,37,38);4-11,16,18,22H,12-15,17H2,1-3H3,(H,36,41)(H,37,42)(H2,33,34,35);4-11,16,18H,12-15,17H2,1-3H3,(H,35,41)(H,37,42)(H2,32,33,34).

What are the key properties of 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 1811.10 g/mol, XLogP of 13.99, 21 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-4-ylbenzamide;4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(oxan-4-yl)benzamide;N-[4-[4-amino-3-[4-(4-propan-2-ylpiperidine-1-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 157316187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).