benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate

C31H34F2N4O5 — CID 118403115

About benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate

benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate (PubChem CID 118403115) has the molecular formula C31H34F2N4O5 and a molecular weight of 580.63 g/mol. Its IUPAC name is benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate
• PubChem CID: 118403115
• Molecular Formula: C31H34F2N4O5
• Molecular Weight: 580.63 g/mol
• Exact Mass: 580.25
• IUPAC Name: benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate
• SMILES: CCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)ccc(OC)c3F)cc(C)cn12)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C31H34F2N4O5/c1-6-31(4,36-30(39)42-16-21-10-8-7-9-11-21)18-34-29(38)27-20(3)35-28-25(14-19(2)15-37(27)28)41-17-22-23(32)12-13-24(40-5)26(22)33/h7-15H,6,16-18H2,1-5H3,(H,34,38)(H,36,39)
• InChIKey: PLROCINVKZVSFS-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.63
LogP ≤ 5	5.64
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-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate?

The IUPAC name of benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate (CID 118403115) is benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate?

The canonical SMILES for benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate is CCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)ccc(OC)c3F)cc(C)cn12)NC(=O)OCc1ccccc1.

What is the InChIKey of benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate?

The InChIKey is PLROCINVKZVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O5/c1-6-31(4,36-30(39)42-16-21-10-8-7-9-11-21)18-34-29(38)27-20(3)35-28-25(14-19(2)15-37(27)28)41-17-22-23(32)12-13-24(40-5)26(22)33/h7-15H,6,16-18H2,1-5H3,(H,34,38)(H,36,39).

What are the key properties of benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate?

benzyl N-[1-[[8-[(2,6-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate has a molecular weight of 580.63 g/mol, XLogP of 5.64, 11 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-difluoro-3-methoxyphenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 118403115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).