4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine

C₁₇H₁₅FN₆O₂ — CID 150127761

About 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine

4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 150127761) has the molecular formula C₁₇H₁₅FN₆O₂ and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

• Compound Name: 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
• PubChem CID: 150127761
• Molecular Formula: C₁₇H₁₅FN₆O₂
• Molecular Weight: 354.35 g/mol
• Exact Mass: 354.12
• IUPAC Name: 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
• SMILES: COc1cc(-c2ncc(-c3cn[nH]c3C)c3onc(N)c23)c(F)cc1N
• InChI: InChI=1S/C17H15FN6O2/c1-7-9(6-22-23-7)10-5-21-15(14-16(10)26-24-17(14)20)8-3-13(25-2)12(19)4-11(8)18/h3-6H,19H2,1-2H3,(H2,20,24)(H,22,23)
• InChIKey: FAOWAHOTVSCQEC-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 128.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.35
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?

The IUPAC name of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 150127761) is 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

What is the SMILES notation for 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?

The canonical SMILES for 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is COc1cc(-c2ncc(-c3cn[nH]c3C)c3onc(N)c23)c(F)cc1N.

What is the InChIKey of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?

The InChIKey is FAOWAHOTVSCQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-7-9(6-22-23-7)10-5-21-15(14-16(10)26-24-17(14)20)8-3-13(25-2)12(19)4-11(8)18/h3-6H,19H2,1-2H3,(H2,20,24)(H,22,23).

What are the key properties of 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine?

4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 354.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-2-fluoro-5-methoxyphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 150127761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150127761 — identifiers, structure, computed properties (public domain)

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