N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C96H102F3N23O9S2 — CID 157056500

About N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 157056500) has the molecular formula C96H102F3N23O9S2 and a molecular weight of 1843.15 g/mol. Its IUPAC name is N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 157056500
• Molecular Formula: C96H102F3N23O9S2
• Molecular Weight: 1843.15 g/mol
• Exact Mass: 1841.76
• IUPAC Name: N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)(C)c1ccc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)cc1.CC(C)(C)c1csc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)n1.Nc1ncnc2c1c(-c1ccc(OCCN3CCOCC3)cc1)nn2-c1ccc(NC(=O)Cc2nc(C(F)(F)F)cs2)cc1
• InChI: InChI=1S/C35H39N7O3.C32H36N8O3S.C29H27F3N8O3S/c1-35(2,3)26-8-4-24(5-9-26)22-30(43)39-27-10-12-28(13-11-27)42-34-31(33(36)37-23-38-34)32(40-42)25-6-14-29(15-7-25)45-21-18-41-16-19-44-20-17-41;1-32(2,3)25-19-44-27(37-25)18-26(41)36-22-6-8-23(9-7-22)40-31-28(30(33)34-20-35-31)29(38-40)21-4-10-24(11-5-21)43-17-14-39-12-15-42-16-13-39;30-29(31,32)22-16-44-24(37-22)15-23(41)36-19-3-5-20(6-4-19)40-28-25(27(33)34-17-35-28)26(38-40)18-1-7-21(8-2-18)43-14-11-39-9-12-42-13-10-39/h4-15,23H,16-22H2,1-3H3,(H,39,43)(H2,36,37,38);4-11,19-20H,12-18H2,1-3H3,(H,36,41)(H2,33,34,35);1-8,16-17H,9-15H2,(H,36,41)(H2,33,34,35)
• InChIKey: AAUYTZWAWGMXIE-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 387.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1843.15
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 157056500) is N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1ccc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)cc1.CC(C)(C)c1csc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)n1.Nc1ncnc2c1c(-c1ccc(OCCN3CCOCC3)cc1)nn2-c1ccc(NC(=O)Cc2nc(C(F)(F)F)cs2)cc1.

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

The InChIKey is AAUYTZWAWGMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O3.C32H36N8O3S.C29H27F3N8O3S/c1-35(2,3)26-8-4-24(5-9-26)22-30(43)39-27-10-12-28(13-11-27)42-34-31(33(36)37-23-38-34)32(40-42)25-6-14-29(15-7-25)45-21-18-41-16-19-44-20-17-41;1-32(2,3)25-19-44-27(37-25)18-26(41)36-22-6-8-23(9-7-22)40-31-28(30(33)34-20-35-31)29(38-40)21-4-10-24(11-5-21)43-17-14-39-12-15-42-16-13-39;30-29(31,32)22-16-44-24(37-22)15-23(41)36-19-3-5-20(6-4-19)40-28-25(27(33)34-17-35-28)26(38-40)18-1-7-21(8-2-18)43-14-11-39-9-12-42-13-10-39/h4-15,23H,16-22H2,1-3H3,(H,39,43)(H2,36,37,38);4-11,19-20H,12-18H2,1-3H3,(H,36,41)(H2,33,34,35);1-8,16-17H,9-15H2,(H,36,41)(H2,33,34,35).

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

N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 1843.15 g/mol, XLogP of 14.40, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butylphenyl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 157056500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).