2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

C20H18ClF2N3O2 — CID 164993341

IUPAC2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(Cl)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18ClF2N3O2/c21-14-8-12(9-18(27)15-2-1-3-16(24-15)19(22)23)10-26-11-17(25-20(14)26)13-4-6-28-7-5-13/h1-3,8,10-11,13,19H,4-7,9H2
InChIKeyHEKAVFRFDZQYKN-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.64
Rot. Bonds5

About 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (PubChem CID 164993341) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
PubChem CID164993341
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC Name2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(Cl)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18ClF2N3O2/c21-14-8-12(9-18(27)15-2-1-3-16(24-15)19(22)23)10-26-11-17(25-20(14)26)13-4-6-28-7-5-13/h1-3,8,10-11,13,19H,4-7,9H2
InChIKeyHEKAVFRFDZQYKN-UHFFFAOYSA-N
XLogP4.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (CID 164993341) is 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc(Cl)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1.
What is the InChIKey of 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is HEKAVFRFDZQYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2/c21-14-8-12(9-18(27)15-2-1-3-16(24-15)19(22)23)10-26-11-17(25-20(14)26)13-4-6-28-7-5-13/h1-3,8,10-11,13,19H,4-7,9H2.
What are the key properties of 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 405.83 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 164993341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).