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

C24H30F2N4O3 — CID 90479836

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

8-[(2,6-difluorophenyl)methoxy]-N-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 90479836) has the molecular formula C24H30F2N4O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,6-difluorophenyl)methoxy]-N-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide
• PubChem CID: 90479836
• Molecular Formula: C24H30F2N4O3
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.23
• IUPAC Name: 8-[(2,6-difluorophenyl)methoxy]-N-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide
• SMILES: CCCCC(NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)nc(C)cn12)C(C)(C)O
• InChI: InChI=1S/C24H30F2N4O3/c1-6-7-11-19(24(4,5)32)29-22(31)20-15(3)28-21-23(27-14(2)12-30(20)21)33-13-16-17(25)9-8-10-18(16)26/h8-10,12,19,32H,6-7,11,13H2,1-5H3,(H,29,31)
• InChIKey: GEOKNYWIOCZFQB-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	4.26
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-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide (CID 90479836) is 8-[(2,6-difluorophenyl)methoxy]-N-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide.

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

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

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

The InChIKey is GEOKNYWIOCZFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O3/c1-6-7-11-19(24(4,5)32)29-22(31)20-15(3)28-21-23(27-14(2)12-30(20)21)33-13-16-17(25)9-8-10-18(16)26/h8-10,12,19,32H,6-7,11,13H2,1-5H3,(H,29,31).

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

8-[(2,6-difluorophenyl)methoxy]-N-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.26, 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-(2-hydroxy-2-methylheptan-3-yl)-2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 90479836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).