[4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone

C26H24F6N8O — CID 157025006

About [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone

[4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone (PubChem CID 157025006) has the molecular formula C26H24F6N8O and a molecular weight of 578.52 g/mol. Its IUPAC name is [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone
• PubChem CID: 157025006
• Molecular Formula: C26H24F6N8O
• Molecular Weight: 578.52 g/mol
• Exact Mass: 578.20
• IUPAC Name: [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone
• SMILES: C=CN1CCN(C(=O)c2c(C)cc(Nc3nccn4c(-c5cn(CC(F)F)nc5C(F)(F)F)cnc34)cc2F)CC1
• InChI: InChI=1S/C26H24F6N8O/c1-3-37-6-8-38(9-7-37)25(41)21-15(2)10-16(11-18(21)27)35-23-24-34-12-19(40(24)5-4-33-23)17-13-39(14-20(28)29)36-22(17)26(30,31)32/h3-5,10-13,20H,1,6-9,14H2,2H3,(H,33,35)
• InChIKey: VHPHHTGZWVMOHK-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 83.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.52
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone?

The IUPAC name of [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone (CID 157025006) is [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone.

What is the SMILES notation for [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone?

The canonical SMILES for [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone is C=CN1CCN(C(=O)c2c(C)cc(Nc3nccn4c(-c5cn(CC(F)F)nc5C(F)(F)F)cnc34)cc2F)CC1.

What is the InChIKey of [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone?

The InChIKey is VHPHHTGZWVMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N8O/c1-3-37-6-8-38(9-7-37)25(41)21-15(2)10-16(11-18(21)27)35-23-24-34-12-19(40(24)5-4-33-23)17-13-39(14-20(28)29)36-22(17)26(30,31)32/h3-5,10-13,20H,1,6-9,14H2,2H3,(H,33,35).

What are the key properties of [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone?

[4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone has a molecular weight of 578.52 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluoro-6-methylphenyl]-(4-ethenylpiperazin-1-yl)methanone is sourced from PubChem (CID 157025006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).