1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone

C24H20F3N3O2 — CID 165070784

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCC(C)Oc1cc2nc(-c3cccc(F)c3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C24H20F3N3O2/c1-14(2)32-22-11-23-29-20(15-5-3-6-17(25)9-15)13-30(23)12-16(22)10-21(31)18-7-4-8-19(28-18)24(26)27/h3-9,11-14,24H,10H2,1-2H3
InChIKeySSGNVKZQOAMODD-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.69
Rot. Bonds7

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 165070784) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID165070784
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCC(C)Oc1cc2nc(-c3cccc(F)c3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C24H20F3N3O2/c1-14(2)32-22-11-23-29-20(15-5-3-6-17(25)9-15)13-30(23)12-16(22)10-21(31)18-7-4-8-19(28-18)24(26)27/h3-9,11-14,24H,10H2,1-2H3
InChIKeySSGNVKZQOAMODD-UHFFFAOYSA-N
XLogP5.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone (CID 165070784) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone is CC(C)Oc1cc2nc(-c3cccc(F)c3)cn2cc1CC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is SSGNVKZQOAMODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-14(2)32-22-11-23-29-20(15-5-3-6-17(25)9-15)13-30(23)12-16(22)10-21(31)18-7-4-8-19(28-18)24(26)27/h3-9,11-14,24H,10H2,1-2H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 439.44 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 165070784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).