5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide

C21H19F3N6O3 — CID 152592478

About 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide

5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 152592478) has the molecular formula C21H19F3N6O3 and a molecular weight of 460.42 g/mol. Its IUPAC name is 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 152592478
• Molecular Formula: C21H19F3N6O3
• Molecular Weight: 460.42 g/mol
• Exact Mass: 460.15
• IUPAC Name: 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1
• InChI: InChI=1S/C21H19F3N6O3/c1-10-3-5-12(20(33,19(26)32)21(22,23)24)7-13(10)15-9-29-17(25)16(30-15)11-4-6-14(28-8-11)18(31)27-2/h3-9,33H,1-2H3,(H2,25,29)(H2,26,32)(H,27,31)
• InChIKey: YVTNWQDZQIZZKI-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 157.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.42
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide (CID 152592478) is 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1.

What is the InChIKey of 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is YVTNWQDZQIZZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O3/c1-10-3-5-12(20(33,19(26)32)21(22,23)24)7-13(10)15-9-29-17(25)16(30-15)11-4-6-14(28-8-11)18(31)27-2/h3-9,33H,1-2H3,(H2,25,29)(H2,26,32)(H,27,31).

What are the key properties of 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide?

5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 152592478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).