1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone

C22H23F2N3O3 — CID 165007665

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H23F2N3O3/c1-2-30-20-10-21-25-16(8-14-6-7-29-13-14)12-27(21)11-15(20)9-19(28)17-4-3-5-18(26-17)22(23)24/h3-5,10-12,14,22H,2,6-9,13H2,1H3
InChIKeyJFFFIYDHGDNARP-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.07
Rot. Bonds8

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 165007665) 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-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID165007665
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C22H23F2N3O3/c1-2-30-20-10-21-25-16(8-14-6-7-29-13-14)12-27(21)11-15(20)9-19(28)17-4-3-5-18(26-17)22(23)24/h3-5,10-12,14,22H,2,6-9,13H2,1H3
InChIKeyJFFFIYDHGDNARP-UHFFFAOYSA-N
XLogP4.07
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164983084
methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 165017034
2-(6-amino-4-ethoxy-3-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)ethanone;2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-1-(1-propan-2-ylpyrazol-3-yl)ethanone;4-ethoxypyridine-2,5-diamine
CID 164953002
2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 164979534
6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxy-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide;ethyl 6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridine-2-carboxylate
CID 164982291
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
CID 164986455
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165046881
2-[2-[(S)-cyclopropyl(hydroxy)methyl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 164976433
2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 165017032
methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 154655144
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 165070784

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 165007665) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone is CCOc1cc2nc(CC3CCOC3)cn2cc1CC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is JFFFIYDHGDNARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-2-30-20-10-21-25-16(8-14-6-7-29-13-14)12-27(21)11-15(20)9-19(28)17-4-3-5-18(26-17)22(23)24/h3-5,10-12,14,22H,2,6-9,13H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 415.44 g/mol, XLogP of 4.07, 8 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-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 165007665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).