8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

C29H21F2N3O2 — CID 163745599

About 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163745599) has the molecular formula C29H21F2N3O2 and a molecular weight of 481.50 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 163745599
• Molecular Formula: C29H21F2N3O2
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.16
• IUPAC Name: 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: C=Cc1ccc2ccccc2c1NC(=O)c1c(C=C)nc2c(OCc3c(F)cccc3F)cccn12
• InChI: InChI=1S/C29H21F2N3O2/c1-3-18-14-15-19-9-5-6-10-20(19)26(18)33-29(35)27-24(4-2)32-28-25(13-8-16-34(27)28)36-17-21-22(30)11-7-12-23(21)31/h3-16H,1-2,17H2,(H,33,35)
• InChIKey: LLOXQFCMSUQMDF-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 163745599) is 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is C=Cc1ccc2ccccc2c1NC(=O)c1c(C=C)nc2c(OCc3c(F)cccc3F)cccn12.

What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is LLOXQFCMSUQMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F2N3O2/c1-3-18-14-15-19-9-5-6-10-20(19)26(18)33-29(35)27-24(4-2)32-28-25(13-8-16-34(27)28)36-17-21-22(30)11-7-12-23(21)31/h3-16H,1-2,17H2,(H,33,35).

What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?

8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-difluorophenyl)methoxy]-2-ethenyl-N-(2-ethenylnaphthalen-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163745599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).