[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate

C25H26FN7O6 — CID 156761892

About [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate

[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate (PubChem CID 156761892) has the molecular formula C25H26FN7O6 and a molecular weight of 539.52 g/mol. Its IUPAC name is [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate.

Molecular Properties

• Compound Name: [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate
• PubChem CID: 156761892
• Molecular Formula: C25H26FN7O6
• Molecular Weight: 539.52 g/mol
• Exact Mass: 539.19
• IUPAC Name: [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate
• SMILES: CC(=O)c1cc(-c2ncc(-c3cnn(COC(=O)OCCN4CCOCC4)c3)c3onc(N)c23)c(F)cc1N
• InChI: InChI=1S/C25H26FN7O6/c1-14(34)16-8-17(19(26)9-20(16)27)22-21-23(39-31-24(21)28)18(11-29-22)15-10-30-33(12-15)13-38-25(35)37-7-4-32-2-5-36-6-3-32/h8-12H,2-7,13,27H2,1H3,(H2,28,31)
• InChIKey: IHBFEEZCTKMIFG-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 173.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.52
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate?

The IUPAC name of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate (CID 156761892) is [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate.

What is the SMILES notation for [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate?

The canonical SMILES for [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate is CC(=O)c1cc(-c2ncc(-c3cnn(COC(=O)OCCN4CCOCC4)c3)c3onc(N)c23)c(F)cc1N.

What is the InChIKey of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate?

The InChIKey is IHBFEEZCTKMIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O6/c1-14(34)16-8-17(19(26)9-20(16)27)22-21-23(39-31-24(21)28)18(11-29-22)15-10-30-33(12-15)13-38-25(35)37-7-4-32-2-5-36-6-3-32/h8-12H,2-7,13,27H2,1H3,(H2,28,31).

What are the key properties of [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate?

[4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate has a molecular weight of 539.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methyl 2-morpholin-4-ylethyl carbonate is sourced from PubChem (CID 156761892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).