2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide

C69H78F3N21O6 — CID 167661238

About 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide

2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide (PubChem CID 167661238) has the molecular formula C69H78F3N21O6 and a molecular weight of 1354.52 g/mol. Its IUPAC name is 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
• PubChem CID: 167661238
• Molecular Formula: C69H78F3N21O6
• Molecular Weight: 1354.52 g/mol
• Exact Mass: 1353.64
• IUPAC Name: 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
• SMILES: CC(C)c1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)no3)cc2)c2c(N)ncnn12.CC(C)c1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)c2c(N)ncnn12.CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)no3)cc2)c2c(N)ncnc21
• InChI: InChI=1S/C23H24F3N7O2.2C23H27N7O2/c1-12(2)33-21-18(20(27)28-11-29-21)19(31-33)14-7-5-13(6-8-14)9-16(34)30-17-10-15(32-35-17)22(3,4)23(24,25)26;1-13(2)22-28-19(20-21(24)25-12-26-30(20)22)15-8-6-14(7-9-15)10-18(31)27-17-11-16(32-29-17)23(3,4)5;1-13(2)22-28-19(20-21(24)25-12-26-30(20)22)15-8-6-14(7-9-15)10-17(31)27-18-11-16(29-32-18)23(3,4)5/h5-8,10-12H,9H2,1-4H3,(H,30,34)(H2,27,28,29);6-9,11-13H,10H2,1-5H3,(H2,24,25,26)(H,27,29,31);6-9,11-13H,10H2,1-5H3,(H,27,31)(H2,24,25,26)
• InChIKey: RZIHYIGQRMQYCF-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 373.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1354.52
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?

The IUPAC name of 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide (CID 167661238) is 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide.

What is the SMILES notation for 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?

The canonical SMILES for 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide is CC(C)c1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)no3)cc2)c2c(N)ncnn12.CC(C)c1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)c2c(N)ncnn12.CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)no3)cc2)c2c(N)ncnc21.

What is the InChIKey of 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?

The InChIKey is RZIHYIGQRMQYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2.2C23H27N7O2/c1-12(2)33-21-18(20(27)28-11-29-21)19(31-33)14-7-5-13(6-8-14)9-16(34)30-17-10-15(32-35-17)22(3,4)23(24,25)26;1-13(2)22-28-19(20-21(24)25-12-26-30(20)22)15-8-6-14(7-9-15)10-18(31)27-17-11-16(32-29-17)23(3,4)5;1-13(2)22-28-19(20-21(24)25-12-26-30(20)22)15-8-6-14(7-9-15)10-17(31)27-18-11-16(29-32-18)23(3,4)5/h5-8,10-12H,9H2,1-4H3,(H,30,34)(H2,27,28,29);6-9,11-13H,10H2,1-5H3,(H2,24,25,26)(H,27,29,31);6-9,11-13H,10H2,1-5H3,(H,27,31)(H2,24,25,26).

What are the key properties of 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide?

2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 1354.52 g/mol, XLogP of 12.59, 16 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide;2-[4-(4-amino-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 167661238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).