1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one

C28H28F2N2O5 — CID 159791677

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one (PubChem CID 159791677) has the molecular formula C28H28F2N2O5 and a molecular weight of 510.54 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one.

Molecular Properties

• Compound Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one
• PubChem CID: 159791677
• Molecular Formula: C28H28F2N2O5
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.20
• IUPAC Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1cccc(OCCO)c1
• InChI: InChI=1S/C28H28F2N2O5/c1-18-26(24(35)15-28(2,17-34)19-6-3-7-20(14-19)36-13-12-33)32-11-5-10-25(27(32)31-18)37-16-21-22(29)8-4-9-23(21)30/h3-11,14,33-34H,12-13,15-17H2,1-2H3
• InChIKey: NIQGWLAYBAQYAD-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 93.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one?

The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one (CID 159791677) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one.

What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one?

The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(C)(CO)c1cccc(OCCO)c1.

What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one?

The InChIKey is NIQGWLAYBAQYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2O5/c1-18-26(24(35)15-28(2,17-34)19-6-3-7-20(14-19)36-13-12-33)32-11-5-10-25(27(32)31-18)37-16-21-22(29)8-4-9-23(21)30/h3-11,14,33-34H,12-13,15-17H2,1-2H3.

What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one?

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one has a molecular weight of 510.54 g/mol, XLogP of 4.39, 11 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one is sourced from PubChem (CID 159791677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).