8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C25H18F2N4O2 — CID 118144999

About 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144999) has the molecular formula C25H18F2N4O2 and a molecular weight of 444.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118144999
• Molecular Formula: C25H18F2N4O2
• Molecular Weight: 444.44 g/mol
• Exact Mass: 444.14
• IUPAC Name: 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cccc2cnccc12
• InChI: InChI=1S/C25H18F2N4O2/c1-15-23(25(32)30-21-8-2-5-16-13-28-11-10-17(16)21)31-12-4-9-22(24(31)29-15)33-14-18-19(26)6-3-7-20(18)27/h2-13H,14H2,1H3,(H,30,32)
• InChIKey: WHFXEUMXZXSHPI-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.44
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118144999) is 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cccc2cnccc12.

What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is WHFXEUMXZXSHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2/c1-15-23(25(32)30-21-8-2-5-16-13-28-11-10-17(16)21)31-12-4-9-22(24(31)29-15)33-14-18-19(26)6-3-7-20(18)27/h2-13H,14H2,1H3,(H,30,32).

What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-difluorophenyl)methoxy]-N-isoquinolin-5-yl-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).