8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide

C22H26F2N4O3 — CID 123666443

About 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 123666443) has the molecular formula C22H26F2N4O3 and a molecular weight of 432.47 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 123666443
• Molecular Formula: C22H26F2N4O3
• Molecular Weight: 432.47 g/mol
• Exact Mass: 432.20
• IUPAC Name: 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide
• SMILES: CCCCC(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12
• InChI: InChI=1S/C22H26F2N4O3/c1-4-5-7-15(11-29)27-21(30)19-14(3)26-20-22(25-13(2)10-28(19)20)31-12-16-17(23)8-6-9-18(16)24/h6,8-10,15,29H,4-5,7,11-12H2,1-3H3,(H,27,30)
• InChIKey: LJOAFMCLNHIIRW-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.47
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide (CID 123666443) is 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide is CCCCC(CO)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12.

What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is LJOAFMCLNHIIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3/c1-4-5-7-15(11-29)27-21(30)19-14(3)26-20-22(25-13(2)10-28(19)20)31-12-16-17(23)8-6-9-18(16)24/h6,8-10,15,29H,4-5,7,11-12H2,1-3H3,(H,27,30).

What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide?

8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 123666443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).