2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)

C24H20F9N5O6 — CID 156514181

About 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)

2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 156514181) has the molecular formula C24H20F9N5O6 and a molecular weight of 645.44 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 156514181
• Molecular Formula: C24H20F9N5O6
• Molecular Weight: 645.44 g/mol
• Exact Mass: 645.13
• IUPAC Name: 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H18F3N5O2.2C2HF3O2/c1-10-3-6-13(19(30,18(25)29)20(21,22)23)7-14(10)15-9-27-17(24)16(28-15)12-5-4-11(2)26-8-12;2*3-2(4,5)1(6)7/h3-9,30H,1-2H3,(H2,24,27)(H2,25,29);2*(H,6,7)
• InChIKey: HCCSRCFIRLVNPX-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 202.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	645.44
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid) (CID 156514181) is 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid) is Cc1ccc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HCCSRCFIRLVNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2.2C2HF3O2/c1-10-3-6-13(19(30,18(25)29)20(21,22)23)7-14(10)15-9-27-17(24)16(28-15)12-5-4-11(2)26-8-12;2*3-2(4,5)1(6)7/h3-9,30H,1-2H3,(H2,24,27)(H2,25,29);2*(H,6,7).

What are the key properties of 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)?

2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 645.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 156514181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).