[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid

C21H22F3N5O4 — CID 121408738

About [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid

[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid (PubChem CID 121408738) has the molecular formula C21H22F3N5O4 and a molecular weight of 465.43 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
• PubChem CID: 121408738
• Molecular Formula: C21H22F3N5O4
• Molecular Weight: 465.43 g/mol
• Exact Mass: 465.16
• IUPAC Name: [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
• SMILES: Cc1cn2c(C(=O)NCC(C)(CF)NC(=O)O)c(C)nc2c(OCc2c(F)cccc2F)n1
• InChI: InChI=1S/C21H22F3N5O4/c1-11-7-29-16(18(30)25-10-21(3,9-22)28-20(31)32)12(2)27-17(29)19(26-11)33-8-13-14(23)5-4-6-15(13)24/h4-7,28H,8-10H2,1-3H3,(H,25,30)(H,31,32)
• InChIKey: LYUUXUVTPPFECK-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 117.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.43
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid?

The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid (CID 121408738) is [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid.

What is the SMILES notation for [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid?

The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid is Cc1cn2c(C(=O)NCC(C)(CF)NC(=O)O)c(C)nc2c(OCc2c(F)cccc2F)n1.

What is the InChIKey of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid?

The InChIKey is LYUUXUVTPPFECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O4/c1-11-7-29-16(18(30)25-10-21(3,9-22)28-20(31)32)12(2)27-17(29)19(26-11)33-8-13-14(23)5-4-6-15(13)24/h4-7,28H,8-10H2,1-3H3,(H,25,30)(H,31,32).

What are the key properties of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid?

[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid has a molecular weight of 465.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 121408738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).