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

C29H28F4N4O4 — CID 118403122

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

benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate (PubChem CID 118403122) has the molecular formula C29H28F4N4O4 and a molecular weight of 572.56 g/mol. Its IUPAC name is benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate
• PubChem CID: 118403122
• Molecular Formula: C29H28F4N4O4
• Molecular Weight: 572.56 g/mol
• Exact Mass: 572.20
• IUPAC Name: benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(CF)cn2c1C(=O)NCC(C)(CF)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C29H28F4N4O4/c1-18-25(27(38)34-17-29(2,16-31)36-28(39)41-14-19-7-4-3-5-8-19)37-13-20(12-30)11-24(26(37)35-18)40-15-21-22(32)9-6-10-23(21)33/h3-11,13H,12,14-17H2,1-2H3,(H,34,38)(H,36,39)
• InChIKey: OWZSNXXDFHEUTJ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate (CID 118403122) is benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate.

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

The canonical SMILES for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate is Cc1nc2c(OCc3c(F)cccc3F)cc(CF)cn2c1C(=O)NCC(C)(CF)NC(=O)OCc1ccccc1.

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

The InChIKey is OWZSNXXDFHEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N4O4/c1-18-25(27(38)34-17-29(2,16-31)36-28(39)41-14-19-7-4-3-5-8-19)37-13-20(12-30)11-24(26(37)35-18)40-15-21-22(32)9-6-10-23(21)33/h3-11,13H,12,14-17H2,1-2H3,(H,34,38)(H,36,39).

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

benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate has a molecular weight of 572.56 g/mol, XLogP of 5.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 118403122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).