2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

C27H31F4N7O4 — CID 127024292

About 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127024292) has the molecular formula C27H31F4N7O4 and a molecular weight of 593.58 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 127024292
• Molecular Formula: C27H31F4N7O4
• Molecular Weight: 593.58 g/mol
• Exact Mass: 593.24
• IUPAC Name: 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(CN2CCN(c3nc4cnc(C(=O)N(C)C)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H30FN7O2.C2HF3O2/c1-31(2)25(34)21-13-20-22(14-27-21)30-24(23(29-20)28-17-5-6-17)33-10-8-32(9-11-33)15-16-4-7-18(35-3)12-19(16)26;3-2(4,5)1(6)7/h4,7,12-14,17H,5-6,8-11,15H2,1-3H3,(H,28,29);(H,6,7)
• InChIKey: BJJQIWDHMXNNHV-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 124.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.58
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 127024292) is 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(CN2CCN(c3nc4cnc(C(=O)N(C)C)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is BJJQIWDHMXNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O2.C2HF3O2/c1-31(2)25(34)21-13-20-22(14-27-21)30-24(23(29-20)28-17-5-6-17)33-10-8-32(9-11-33)15-16-4-7-18(35-3)12-19(16)26;3-2(4,5)1(6)7/h4,7,12-14,17H,5-6,8-11,15H2,1-3H3,(H,28,29);(H,6,7).

What are the key properties of 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?

2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 593.58 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylamino)-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127024292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).