SFTOUDPUOPTXDM-UHFFFAOYSA-N

C₁₉H₁₉F₃N₄O₃ — CID 151836507

About SFTOUDPUOPTXDM-UHFFFAOYSA-N

SFTOUDPUOPTXDM-UHFFFAOYSA-N (PubChem CID 151836507) has the molecular formula C₁₉H₁₉F₃N₄O₃ and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(4-hydroxypent-1-ynyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

• Compound Name: SFTOUDPUOPTXDM-UHFFFAOYSA-N
• PubChem CID: 151836507
• Molecular Formula: C₁₉H₁₉F₃N₄O₃
• Molecular Weight: 408.38 g/mol
• Exact Mass: 408.14
• IUPAC Name: 2-[3-[5-amino-6-(4-hydroxypent-1-ynyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
• SMILES: Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C#CCC(C)O)n1
• InChI: InChI=1S/C19H19F3N4O3/c1-10-6-7-12(18(29,17(24)28)19(20,21)22)8-13(10)15-9-25-16(23)14(26-15)5-3-4-11(2)27/h6-9,11,27,29H,4H2,1-2H3,(H2,23,25)(H2,24,28)
• InChIKey: SFTOUDPUOPTXDM-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 135.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.38
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of SFTOUDPUOPTXDM-UHFFFAOYSA-N (CID 151836507) is 2-[3-[5-amino-6-(4-hydroxypent-1-ynyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

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

The canonical SMILES for SFTOUDPUOPTXDM-UHFFFAOYSA-N is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C#CCC(C)O)n1.

What is the InChIKey of SFTOUDPUOPTXDM-UHFFFAOYSA-N?

The InChIKey is SFTOUDPUOPTXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-10-6-7-12(18(29,17(24)28)19(20,21)22)8-13(10)15-9-25-16(23)14(26-15)5-3-4-11(2)27/h6-9,11,27,29H,4H2,1-2H3,(H2,23,25)(H2,24,28).

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

SFTOUDPUOPTXDM-UHFFFAOYSA-N has a molecular weight of 408.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for SFTOUDPUOPTXDM-UHFFFAOYSA-N is sourced from PubChem (CID 151836507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151836507 — identifiers, structure, computed properties (public domain)

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