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

C19H22F3N5O4 — CID 150317870

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

3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 150317870) has the molecular formula C19H22F3N5O4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
• PubChem CID: 150317870
• Molecular Formula: C19H22F3N5O4
• Molecular Weight: 441.41 g/mol
• Exact Mass: 441.16
• IUPAC Name: 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC(C)(C)CO)n1
• InChI: InChI=1S/C19H22F3N5O4/c1-9-4-5-10(18(31,16(24)30)19(20,21)22)6-11(9)12-7-25-14(23)13(26-12)15(29)27-17(2,3)8-28/h4-7,28,31H,8H2,1-3H3,(H2,23,25)(H2,24,30)(H,27,29)
• InChIKey: GMZKQLWONGKMEI-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 164.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.41
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide (CID 150317870) is 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide.

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

The canonical SMILES for 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC(C)(C)CO)n1.

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

The InChIKey is GMZKQLWONGKMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O4/c1-9-4-5-10(18(31,16(24)30)19(20,21)22)6-11(9)12-7-25-14(23)13(26-12)15(29)27-17(2,3)8-28/h4-7,28,31H,8H2,1-3H3,(H2,23,25)(H2,24,30)(H,27,29).

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

3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 150317870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).