1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

C23H23F2N3O3 — CID 164969526

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC4CCC(C3)O4)nc12
InChIInChI=1S/C23H23F2N3O3/c1-30-21-8-13(7-20(29)17-3-2-4-18(26-17)22(24)25)11-28-12-19(27-23(21)28)14-9-15-5-6-16(10-14)31-15/h2-4,8,11-12,14-16,22H,5-7,9-10H2,1H3
InChIKeyCXVFDAIEKVOMHL-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.53
Rot. Bonds6

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164969526) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164969526
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC4CCC(C3)O4)nc12
InChIInChI=1S/C23H23F2N3O3/c1-30-21-8-13(7-20(29)17-3-2-4-18(26-17)22(24)25)11-28-12-19(27-23(21)28)14-9-15-5-6-16(10-14)31-15/h2-4,8,11-12,14-16,22H,5-7,9-10H2,1H3
InChIKeyCXVFDAIEKVOMHL-UHFFFAOYSA-N
XLogP4.53
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone with MolForge

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Related Compounds

(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
(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
N-[8-(cyclohexylmethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49791079
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014
2-[3-[5-(2,2-Difluoroethoxy)-3-pyridyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 71819546
N-ethyl-5-[8-[(4-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156011213
N-ethyl-5-[2-methyl-8-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 156012014

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164969526) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is COc1cc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC4CCC(C3)O4)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is CXVFDAIEKVOMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-30-21-8-13(7-20(29)17-3-2-4-18(26-17)22(24)25)11-28-12-19(27-23(21)28)14-9-15-5-6-16(10-14)31-15/h2-4,8,11-12,14-16,22H,5-7,9-10H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 427.45 g/mol, XLogP of 4.53, 6 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-(8-oxabicyclo[3.2.1]octan-3-yl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164969526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).