benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate

C32H26F4N4O4 — CID 86717956

About benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate

benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate (PubChem CID 86717956) has the molecular formula C32H26F4N4O4 and a molecular weight of 606.58 g/mol. Its IUPAC name is benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate
• PubChem CID: 86717956
• Molecular Formula: C32H26F4N4O4
• Molecular Weight: 606.58 g/mol
• Exact Mass: 606.19
• IUPAC Name: benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(NC(=O)OCc1ccccc1)c1ccc(F)c(F)c1
• InChI: InChI=1S/C32H26F4N4O4/c1-19-29(40-14-6-11-28(30(40)38-19)43-18-22-23(33)9-5-10-24(22)34)31(41)37-16-27(21-12-13-25(35)26(36)15-21)39-32(42)44-17-20-7-3-2-4-8-20/h2-15,27H,16-18H2,1H3,(H,37,41)(H,39,42)
• InChIKey: XFMFYJRQEYOYHR-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.58
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate?

The IUPAC name of benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate (CID 86717956) is benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate.

What is the SMILES notation for benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate?

The canonical SMILES for benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(NC(=O)OCc1ccccc1)c1ccc(F)c(F)c1.

What is the InChIKey of benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate?

The InChIKey is XFMFYJRQEYOYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F4N4O4/c1-19-29(40-14-6-11-28(30(40)38-19)43-18-22-23(33)9-5-10-24(22)34)31(41)37-16-27(21-12-13-25(35)26(36)15-21)39-32(42)44-17-20-7-3-2-4-8-20/h2-15,27H,16-18H2,1H3,(H,37,41)(H,39,42).

What are the key properties of benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate?

benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 606.58 g/mol, XLogP of 6.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-(3,4-difluorophenyl)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 86717956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).