1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone

C27H18F5N3O2 — CID 159573510

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone (PubChem CID 159573510) has the molecular formula C27H18F5N3O2 and a molecular weight of 511.45 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone
• PubChem CID: 159573510
• Molecular Formula: C27H18F5N3O2
• Molecular Weight: 511.45 g/mol
• Exact Mass: 511.13
• IUPAC Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1ccnc2ccc(C(F)(F)F)cc12
• InChI: InChI=1S/C27H18F5N3O2/c1-15-25(23(36)12-16-9-10-33-22-8-7-17(13-18(16)22)27(30,31)32)35-11-3-6-24(26(35)34-15)37-14-19-20(28)4-2-5-21(19)29/h2-11,13H,12,14H2,1H3
• InChIKey: MICPBNUXOICOQG-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.45
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone?

The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone (CID 159573510) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone.

What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone?

The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1ccnc2ccc(C(F)(F)F)cc12.

What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone?

The InChIKey is MICPBNUXOICOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F5N3O2/c1-15-25(23(36)12-16-9-10-33-22-8-7-17(13-18(16)22)27(30,31)32)35-11-3-6-24(26(35)34-15)37-14-19-20(28)4-2-5-21(19)29/h2-11,13H,12,14H2,1H3.

What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone?

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone has a molecular weight of 511.45 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone is sourced from PubChem (CID 159573510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).