[4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid

C24H24F4N6O3 — CID 162339941

About [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid

[4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 162339941) has the molecular formula C24H24F4N6O3 and a molecular weight of 520.49 g/mol. Its IUPAC name is [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 162339941
• Molecular Formula: C24H24F4N6O3
• Molecular Weight: 520.49 g/mol
• Exact Mass: 520.18
• IUPAC Name: [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(C(=O)N2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H23FN6O.C2HF3O2/c1-14-2-5-16(17(23)12-14)22(30)29-10-8-28(9-11-29)21-20(25-15-3-4-15)26-18-6-7-24-13-19(18)27-21;3-2(4,5)1(6)7/h2,5-7,12-13,15H,3-4,8-11H2,1H3,(H,25,26);(H,6,7)
• InChIKey: WRSBQTIKPMDBHP-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 111.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.49
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid (CID 162339941) is [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)N2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F.

What is the InChIKey of [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid?

The InChIKey is WRSBQTIKPMDBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O.C2HF3O2/c1-14-2-5-16(17(23)12-14)22(30)29-10-8-28(9-11-29)21-20(25-15-3-4-15)26-18-6-7-24-13-19(18)27-21;3-2(4,5)1(6)7/h2,5-7,12-13,15H,3-4,8-11H2,1H3,(H,25,26);(H,6,7).

What are the key properties of [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid?

[4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 520.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperazin-1-yl]-(2-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162339941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).