2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

C21H19F4N3O3 — CID 164960249

IUPAC2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(OC(F)F)c2nc(C3CCCOC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C21H19F4N3O3/c22-19(23)15-5-1-4-14(26-15)17(29)7-12-8-18(31-21(24)25)20-27-16(10-28(20)9-12)13-3-2-6-30-11-13/h1,4-5,8-10,13,19,21H,2-3,6-7,11H2
InChIKeyBSWSBFDTPLYAGM-UHFFFAOYSA-N
MW437.39 g/mol
LogP4.59
Rot. Bonds7

About 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (PubChem CID 164960249) has the molecular formula C21H19F4N3O3 and a molecular weight of 437.39 g/mol. Its IUPAC name is 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
PubChem CID164960249
Molecular FormulaC21H19F4N3O3
Molecular Weight437.39 g/mol
Exact Mass437.14
IUPAC Name2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(OC(F)F)c2nc(C3CCCOC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C21H19F4N3O3/c22-19(23)15-5-1-4-14(26-15)17(29)7-12-8-18(31-21(24)25)20-27-16(10-28(20)9-12)13-3-2-6-30-11-13/h1,4-5,8-10,13,19,21H,2-3,6-7,11H2
InChIKeyBSWSBFDTPLYAGM-UHFFFAOYSA-N
XLogP4.59
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
2-(4-Piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 57402708
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
CID 118504517
(4-(3'-Methoxy-3,4'-bipyridin-2-yloxy)phenyl)(1-methyl-1h-benzo[d]imidazol-2-yl)methanone
CID 46214213
N-[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]-5-methoxypyridine-2-carboxamide
CID 117902661
6-(difluoromethyl)-N-[7-ethoxy-2-[[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655942
N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
CID 46948161
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N,2-dimethylpropanamide
CID 49778795
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N-methyl-2-phenoxyacetamide
CID 49786482

Frequently Asked Questions

What is the IUPAC name of 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (CID 164960249) is 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc(OC(F)F)c2nc(C3CCCOC3)cn2c1)c1cccc(C(F)F)n1.
What is the InChIKey of 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is BSWSBFDTPLYAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O3/c22-19(23)15-5-1-4-14(26-15)17(29)7-12-8-18(31-21(24)25)20-27-16(10-28(20)9-12)13-3-2-6-30-11-13/h1,4-5,8-10,13,19,21H,2-3,6-7,11H2.
What are the key properties of 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 437.39 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(difluoromethoxy)-2-(oxan-3-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 164960249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).