1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone

C24H21F5N4O3 — CID 161238104

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (PubChem CID 161238104) has the molecular formula C24H21F5N4O3 and a molecular weight of 508.45 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
• PubChem CID: 161238104
• Molecular Formula: C24H21F5N4O3
• Molecular Weight: 508.45 g/mol
• Exact Mass: 508.15
• IUPAC Name: 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1c(C(F)(F)F)nn(CCO)c1C
• InChI: InChI=1S/C24H21F5N4O3/c1-13-21(19(35)11-15-14(2)33(9-10-34)31-22(15)24(27,28)29)32-8-4-7-20(23(32)30-13)36-12-16-17(25)5-3-6-18(16)26/h3-8,34H,9-12H2,1-2H3
• InChIKey: UZQHWICPGDUHEP-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 81.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.45
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
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]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?

The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (CID 161238104) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone.

What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?

The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1c(C(F)(F)F)nn(CCO)c1C.

What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?

The InChIKey is UZQHWICPGDUHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O3/c1-13-21(19(35)11-15-14(2)33(9-10-34)31-22(15)24(27,28)29)32-8-4-7-20(23(32)30-13)36-12-16-17(25)5-3-6-18(16)26/h3-8,34H,9-12H2,1-2H3.

What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone has a molecular weight of 508.45 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 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]-2-[1-(2-hydroxyethyl)-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 161238104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).