DCGYCUQIYSBJFO-UHFFFAOYSA-N

C₁₆H₁₀F₄N₆O — CID 150005954

About DCGYCUQIYSBJFO-UHFFFAOYSA-N

DCGYCUQIYSBJFO-UHFFFAOYSA-N (PubChem CID 150005954) has the molecular formula C₁₆H₁₀F₄N₆O and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

• Compound Name: DCGYCUQIYSBJFO-UHFFFAOYSA-N
• PubChem CID: 150005954
• Molecular Formula: C₁₆H₁₀F₄N₆O
• Molecular Weight: 378.29 g/mol
• Exact Mass: 378.09
• IUPAC Name: 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine
• SMILES: Nc1cc(F)c(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)cc1C(F)(F)F
• InChI: InChI=1S/C16H10F4N6O/c17-10-2-11(21)9(16(18,19)20)1-7(10)13-12-14(27-26-15(12)22)8(5-23-13)6-3-24-25-4-6/h1-5H,21H2,(H2,22,26)(H,24,25)
• InChIKey: DCGYCUQIYSBJFO-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 119.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.29
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of DCGYCUQIYSBJFO-UHFFFAOYSA-N?

The IUPAC name of DCGYCUQIYSBJFO-UHFFFAOYSA-N (CID 150005954) is 4-[4-amino-2-fluoro-5-(trifluoromethyl)phenyl]-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-3-amine.

What is the SMILES notation for DCGYCUQIYSBJFO-UHFFFAOYSA-N?

The canonical SMILES for DCGYCUQIYSBJFO-UHFFFAOYSA-N is Nc1cc(F)c(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)cc1C(F)(F)F.

What is the InChIKey of DCGYCUQIYSBJFO-UHFFFAOYSA-N?

The InChIKey is DCGYCUQIYSBJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6O/c17-10-2-11(21)9(16(18,19)20)1-7(10)13-12-14(27-26-15(12)22)8(5-23-13)6-3-24-25-4-6/h1-5H,21H2,(H2,22,26)(H,24,25).

What are the key properties of DCGYCUQIYSBJFO-UHFFFAOYSA-N?

DCGYCUQIYSBJFO-UHFFFAOYSA-N has a molecular weight of 378.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for DCGYCUQIYSBJFO-UHFFFAOYSA-N is sourced from PubChem (CID 150005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150005954 — identifiers, structure, computed properties (public domain)

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