4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one

C22H26F2N4O2 — CID 157174963

About 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one

4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one (PubChem CID 157174963) has the molecular formula C22H26F2N4O2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one.

Molecular Properties

• Compound Name: 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one
• PubChem CID: 157174963
• Molecular Formula: C22H26F2N4O2
• Molecular Weight: 416.47 g/mol
• Exact Mass: 416.20
• IUPAC Name: 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one
• SMILES: CCC(C)(N)CCC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12
• InChI: InChI=1S/C22H26F2N4O2/c1-5-22(4,25)10-9-18(29)19-14(3)27-20-21(26-13(2)11-28(19)20)30-12-15-16(23)7-6-8-17(15)24/h6-8,11H,5,9-10,12,25H2,1-4H3
• InChIKey: ANWZZDCPKMBNTQ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.47
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one?

The IUPAC name of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one (CID 157174963) is 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one.

What is the SMILES notation for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one?

The canonical SMILES for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one is CCC(C)(N)CCC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12.

What is the InChIKey of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one?

The InChIKey is ANWZZDCPKMBNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O2/c1-5-22(4,25)10-9-18(29)19-14(3)27-20-21(26-13(2)11-28(19)20)30-12-15-16(23)7-6-8-17(15)24/h6-8,11H,5,9-10,12,25H2,1-4H3.

What are the key properties of 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one?

4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one has a molecular weight of 416.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one is sourced from PubChem (CID 157174963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).