1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone

C21H21F2N3O3 — CID 164956295

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(CC3CCOC3)nc12
InChIInChI=1S/C21H21F2N3O3/c1-28-19-9-14(8-18(27)16-3-2-4-17(25-16)20(22)23)10-26-11-15(24-21(19)26)7-13-5-6-29-12-13/h2-4,9-11,13,20H,5-8,12H2,1H3
InChIKeyBFFFGSCFSHQGQX-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.68
Rot. Bonds7

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164956295) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164956295
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(CC3CCOC3)nc12
InChIInChI=1S/C21H21F2N3O3/c1-28-19-9-14(8-18(27)16-3-2-4-17(25-16)20(22)23)10-26-11-15(24-21(19)26)7-13-5-6-29-12-13/h2-4,9-11,13,20H,5-8,12H2,1H3
InChIKeyBFFFGSCFSHQGQX-UHFFFAOYSA-N
XLogP3.68
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 11952559
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
4-(2-Furyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
CID 52943875
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
3-Cyclopropyl-6-fluoro-2-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 71535398
(4-(3'-Methoxy-3,4'-bipyridin-2-yloxy)phenyl)(1-methyl-1h-benzo[d]imidazol-2-yl)methanone
CID 46214213
[4-[[3-(4-Fluorooxan-4-yl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 59326827
(5-Fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327061
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164956295) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone is COc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(CC3CCOC3)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is BFFFGSCFSHQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-28-19-9-14(8-18(27)16-3-2-4-17(25-16)20(22)23)10-26-11-15(24-21(19)26)7-13-5-6-29-12-13/h2-4,9-11,13,20H,5-8,12H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 401.41 g/mol, XLogP of 3.68, 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-[8-methoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164956295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).