2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C₂₀H₂₂F₃N₅O₄ — CID 156514195

About 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 156514195) has the molecular formula C₂₀H₂₂F₃N₅O₄ and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

• Compound Name: 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
• PubChem CID: 156514195
• Molecular Formula: C₂₀H₂₂F₃N₅O₄
• Molecular Weight: 453.42 g/mol
• Exact Mass: 453.16
• IUPAC Name: 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
• SMILES: COCC1CCN1C(=O)c1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N
• InChI: InChI=1S/C20H22F3N5O4/c1-10-3-4-11(19(31,18(25)30)20(21,22)23)7-13(10)14-8-26-16(24)15(27-14)17(29)28-6-5-12(28)9-32-2/h3-4,7-8,12,31H,5-6,9H2,1-2H3,(H2,24,26)(H2,25,30)
• InChIKey: LPDDCCDIECYMKZ-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 144.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.42
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?

The IUPAC name of 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 156514195) is 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

What is the SMILES notation for 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?

The canonical SMILES for 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is COCC1CCN1C(=O)c1nc(-c2cc(C(O)(C(N)=O)C(F)(F)F)ccc2C)cnc1N.

What is the InChIKey of 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?

The InChIKey is LPDDCCDIECYMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O4/c1-10-3-4-11(19(31,18(25)30)20(21,22)23)7-13(10)14-8-26-16(24)15(27-14)17(29)28-6-5-12(28)9-32-2/h3-4,7-8,12,31H,5-6,9H2,1-2H3,(H2,24,26)(H2,25,30).

What are the key properties of 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?

2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 453.42 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-amino-6-[2-(methoxymethyl)azetidine-1-carbonyl]pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 156514195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156514195 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.