1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

C20H18F3N3O2 — CID 165046881

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESO=C(Cc1cn2cc(C3CCOCC3)nc2cc1F)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18F3N3O2/c21-14-9-19-25-17(12-4-6-28-7-5-12)11-26(19)10-13(14)8-18(27)15-2-1-3-16(24-15)20(22)23/h1-3,9-12,20H,4-8H2
InChIKeyPAYAMLBSPRTFQH-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.13
Rot. Bonds5

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 165046881) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID165046881
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESO=C(Cc1cn2cc(C3CCOCC3)nc2cc1F)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18F3N3O2/c21-14-9-19-25-17(12-4-6-28-7-5-12)11-26(19)10-13(14)8-18(27)15-2-1-3-16(24-15)20(22)23/h1-3,9-12,20H,4-8H2
InChIKeyPAYAMLBSPRTFQH-UHFFFAOYSA-N
XLogP4.13
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.13
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-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 165046881) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is O=C(Cc1cn2cc(C3CCOCC3)nc2cc1F)c1cccc(C(F)F)n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is PAYAMLBSPRTFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-14-9-19-25-17(12-4-6-28-7-5-12)11-26(19)10-13(14)8-18(27)15-2-1-3-16(24-15)20(22)23/h1-3,9-12,20H,4-8H2.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 389.38 g/mol, XLogP of 4.13, 5 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-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 165046881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).