MOVAIECGDPHBRZ-UHFFFAOYSA-N

C₂₀H₂₂F₃N₃O₃Si — CID 71236203

About MOVAIECGDPHBRZ-UHFFFAOYSA-N

MOVAIECGDPHBRZ-UHFFFAOYSA-N (PubChem CID 71236203) has the molecular formula C₂₀H₂₂F₃N₃O₃Si and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: MOVAIECGDPHBRZ-UHFFFAOYSA-N
• PubChem CID: 71236203
• Molecular Formula: C₂₀H₂₂F₃N₃O₃Si
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.14
• IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)cnc21
• InChI: InChI=1S/C20H22F3N3O3Si/c1-30(2,3)9-8-29-12-26-11-15(19(27)28)17-18(26)24-10-16(25-17)13-4-6-14(7-5-13)20(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28)
• InChIKey: MOVAIECGDPHBRZ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 77.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.49
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of MOVAIECGDPHBRZ-UHFFFAOYSA-N (CID 71236203) is 2-[4-(trifluoromethyl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

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

The canonical SMILES for MOVAIECGDPHBRZ-UHFFFAOYSA-N is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)cnc21.

What is the InChIKey of MOVAIECGDPHBRZ-UHFFFAOYSA-N?

The InChIKey is MOVAIECGDPHBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3Si/c1-30(2,3)9-8-29-12-26-11-15(19(27)28)17-18(26)24-10-16(25-17)13-4-6-14(7-5-13)20(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28).

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

MOVAIECGDPHBRZ-UHFFFAOYSA-N has a molecular weight of 437.49 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MOVAIECGDPHBRZ-UHFFFAOYSA-N is sourced from PubChem (CID 71236203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71236203 — identifiers, structure, computed properties (public domain)

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