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

C22H23F2N3O3 — CID 164961282

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H23F2N3O3/c1-2-30-20-11-21-26-18(14-6-8-29-9-7-14)13-27(21)12-15(20)10-19(28)16-4-3-5-17(25-16)22(23)24/h3-5,11-14,22H,2,6-10H2,1H3
InChIKeyBWLRJLBTPFTGBI-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.39
Rot. Bonds7

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

1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164961282) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164961282
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H23F2N3O3/c1-2-30-20-11-21-26-18(14-6-8-29-9-7-14)13-27(21)12-15(20)10-19(28)16-4-3-5-17(25-16)22(23)24/h3-5,11-14,22H,2,6-10H2,1H3
InChIKeyBWLRJLBTPFTGBI-UHFFFAOYSA-N
XLogP4.39
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164961282) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-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-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is BWLRJLBTPFTGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-2-30-20-11-21-26-18(14-6-8-29-9-7-14)13-27(21)12-15(20)10-19(28)16-4-3-5-17(25-16)22(23)24/h3-5,11-14,22H,2,6-10H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 415.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164961282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).