N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid

C28H33F4N7O4 — CID 155523116

About N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid

N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 155523116) has the molecular formula C28H33F4N7O4 and a molecular weight of 607.61 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 155523116
• Molecular Formula: C28H33F4N7O4
• Molecular Weight: 607.61 g/mol
• Exact Mass: 607.25
• IUPAC Name: N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(CN2CCN(c3nc4cnc(N5CCOCC5)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H32FN7O2.C2HF3O2/c1-35-20-5-2-18(21(27)14-20)17-32-6-8-34(9-7-32)26-25(29-19-3-4-19)30-22-15-24(28-16-23(22)31-26)33-10-12-36-13-11-33;3-2(4,5)1(6)7/h2,5,14-16,19H,3-4,6-13,17H2,1H3,(H,29,30);(H,6,7)
• InChIKey: CFXCQJNFMFNCSV-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 116.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.61
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid (CID 155523116) is N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is COc1ccc(CN2CCN(c3nc4cnc(N5CCOCC5)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F.

What is the InChIKey of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?

The InChIKey is CFXCQJNFMFNCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2.C2HF3O2/c1-35-20-5-2-18(21(27)14-20)17-32-6-8-34(9-7-32)26-25(29-19-3-4-19)30-22-15-24(28-16-23(22)31-26)33-10-12-36-13-11-33;3-2(4,5)1(6)7/h2,5,14-16,19H,3-4,6-13,17H2,1H3,(H,29,30);(H,6,7).

What are the key properties of N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?

N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 607.61 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-7-morpholin-4-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155523116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).