benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate

C31H31F5N4O5 — CID 118488462

About benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate

benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate (PubChem CID 118488462) has the molecular formula C31H31F5N4O5 and a molecular weight of 634.60 g/mol. Its IUPAC name is benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate
• PubChem CID: 118488462
• Molecular Formula: C31H31F5N4O5
• Molecular Weight: 634.60 g/mol
• Exact Mass: 634.22
• IUPAC Name: benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate
• SMILES: COc1nc2c(OCc3c(F)cccc3F)cc(C)cn2c1C(=O)NCC(C)(CCC(F)(F)F)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C31H31F5N4O5/c1-19-14-24(44-17-21-22(32)10-7-11-23(21)33)26-38-28(43-3)25(40(26)15-19)27(41)37-18-30(2,12-13-31(34,35)36)39-29(42)45-16-20-8-5-4-6-9-20/h4-11,14-15H,12-13,16-18H2,1-3H3,(H,37,41)(H,39,42)
• InChIKey: UVYDBSLTAQTKEL-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.60
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate?

The IUPAC name of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate (CID 118488462) is benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate?

The canonical SMILES for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate is COc1nc2c(OCc3c(F)cccc3F)cc(C)cn2c1C(=O)NCC(C)(CCC(F)(F)F)NC(=O)OCc1ccccc1.

What is the InChIKey of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate?

The InChIKey is UVYDBSLTAQTKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F5N4O5/c1-19-14-24(44-17-21-22(32)10-7-11-23(21)33)26-38-28(43-3)25(40(26)15-19)27(41)37-18-30(2,12-13-31(34,35)36)39-29(42)45-16-20-8-5-4-6-9-20/h4-11,14-15H,12-13,16-18H2,1-3H3,(H,37,41)(H,39,42).

What are the key properties of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate?

benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate has a molecular weight of 634.60 g/mol, XLogP of 6.27, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methoxy-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl]carbamate is sourced from PubChem (CID 118488462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).