N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride

C20H19ClF3N7O2 — CID 140595575

About N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride

N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride (PubChem CID 140595575) has the molecular formula C20H19ClF3N7O2 and a molecular weight of 481.87 g/mol. Its IUPAC name is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride
• PubChem CID: 140595575
• Molecular Formula: C20H19ClF3N7O2
• Molecular Weight: 481.87 g/mol
• Exact Mass: 481.12
• IUPAC Name: N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride
• SMILES: CC1(c2cccc(NC(=O)c3cnc(-n4ccc(C(F)(F)F)n4)cn3)c2)COCC(N)=N1.Cl
• InChI: InChI=1S/C20H18F3N7O2.ClH/c1-19(11-32-10-16(24)28-19)12-3-2-4-13(7-12)27-18(31)14-8-26-17(9-25-14)30-6-5-15(29-30)20(21,22)23;/h2-9H,10-11H2,1H3,(H2,24,28)(H,27,31);1H
• InChIKey: XTIXZQQFPGDDMS-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 120.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.87
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride?

The IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride (CID 140595575) is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride is CC1(c2cccc(NC(=O)c3cnc(-n4ccc(C(F)(F)F)n4)cn3)c2)COCC(N)=N1.Cl.

What is the InChIKey of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride?

The InChIKey is XTIXZQQFPGDDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O2.ClH/c1-19(11-32-10-16(24)28-19)12-3-2-4-13(7-12)27-18(31)14-8-26-17(9-25-14)30-6-5-15(29-30)20(21,22)23;/h2-9H,10-11H2,1H3,(H2,24,28)(H,27,31);1H.

What are the key properties of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride?

N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 481.87 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 140595575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).