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

C22H22F4N4O4 — CID 118389641

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

[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid (PubChem CID 118389641) has the molecular formula C22H22F4N4O4 and a molecular weight of 482.43 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
• PubChem CID: 118389641
• Molecular Formula: C22H22F4N4O4
• Molecular Weight: 482.43 g/mol
• Exact Mass: 482.16
• IUPAC Name: [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(CF)cn2c1C(=O)NCC(C)(CF)NC(=O)O
• InChI: InChI=1S/C22H22F4N4O4/c1-12-18(20(31)27-11-22(2,10-24)29-21(32)33)30-8-13(7-23)6-17(19(30)28-12)34-9-14-15(25)4-3-5-16(14)26/h3-6,8,29H,7,9-11H2,1-2H3,(H,27,31)(H,32,33)
• InChIKey: WPOORPZDNQDJSF-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 104.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid (CID 118389641) is [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid.

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

The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid is Cc1nc2c(OCc3c(F)cccc3F)cc(CF)cn2c1C(=O)NCC(C)(CF)NC(=O)O.

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

The InChIKey is WPOORPZDNQDJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O4/c1-12-18(20(31)27-11-22(2,10-24)29-21(32)33)30-8-13(7-23)6-17(19(30)28-12)34-9-14-15(25)4-3-5-16(14)26/h3-6,8,29H,7,9-11H2,1-2H3,(H,27,31)(H,32,33).

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

[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid has a molecular weight of 482.43 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 118389641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).