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

C21H21F2N3O2 — CID 164980280

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H21F2N3O2/c1-13-9-14(10-19(27)16-3-2-4-17(24-16)20(22)23)11-26-12-18(25-21(13)26)15-5-7-28-8-6-15/h2-4,9,11-12,15,20H,5-8,10H2,1H3
InChIKeyFJMZVQNUIVBZFS-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.29
Rot. Bonds5

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

1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164980280) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164980280
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H21F2N3O2/c1-13-9-14(10-19(27)16-3-2-4-17(24-16)20(22)23)11-26-12-18(25-21(13)26)15-5-7-28-8-6-15/h2-4,9,11-12,15,20H,5-8,10H2,1H3
InChIKeyFJMZVQNUIVBZFS-UHFFFAOYSA-N
XLogP4.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
(3-Fluoro-2-(trifluoromethyl)phenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54585060
Aminoimidazo[1,2-a]pyridine deriv. 14
CID 5330614
Aminoimidazo[1,2-a]pyridine deriv. 25
CID 5330625
1-[1-(Imidazo[1,2-A]pyridin-5-Yl)-7-(Morpholin-4-Yl)indolizin-3-Yl]ethanone
CID 127038798
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)picolinamide
CID 23120572
(2-Methylimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone
CID 2998403
N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456396
3-(difluoromethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl]benzamide
CID 90463408
N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609739
Aminoimidazo[1,2-a]pyridine deriv. 6
CID 5330628

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164980280) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is Cc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is FJMZVQNUIVBZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-13-9-14(10-19(27)16-3-2-4-17(24-16)20(22)23)11-26-12-18(25-21(13)26)15-5-7-28-8-6-15/h2-4,9,11-12,15,20H,5-8,10H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 385.41 g/mol, XLogP of 4.29, 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-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164980280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).