6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C41H46BrF3N8O4 — CID 165053076

IUPAC6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(CC)cn2cc1Br.CCOc1cc2nc(CC)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CC)cn2cc1N
InChIInChI=1S/C19H18F3N3O2.C11H13BrN2O.C11H15N3O/c1-3-13-11-25-10-12(16(27-4-2)9-18(25)23-13)8-15(26)14-6-5-7-17(24-14)19(20,21)22;2*1-3-8-6-14-7-9(12)10(15-4-2)5-11(14)13-8/h5-7,9-11H,3-4,8H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4,12H2,1-2H3
InChIKeyPZBDEBXUYLQHER-UHFFFAOYSA-N
MW851.77 g/mol
LogP9.07
Rot. Bonds12

About 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165053076) has the molecular formula C41H46BrF3N8O4 and a molecular weight of 851.77 g/mol. Its IUPAC name is 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165053076
Molecular FormulaC41H46BrF3N8O4
Molecular Weight851.77 g/mol
Exact Mass850.28
IUPAC Name6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(CC)cn2cc1Br.CCOc1cc2nc(CC)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CC)cn2cc1N
InChIInChI=1S/C19H18F3N3O2.C11H13BrN2O.C11H15N3O/c1-3-13-11-25-10-12(16(27-4-2)9-18(25)23-13)8-15(26)14-6-5-7-17(24-14)19(20,21)22;2*1-3-8-6-14-7-9(12)10(15-4-2)5-11(14)13-8/h5-7,9-11H,3-4,8H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4,12H2,1-2H3
InChIKeyPZBDEBXUYLQHER-UHFFFAOYSA-N
XLogP9.07
TPSA135.57 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500851.77
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

1-[1-[3-(2-Morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155530428
1-[1-[3-(2-Morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155563500
6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655617
N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655663
N-[7-[5-amino-4-[(E)-difluoromethyliminomethyl]-6-[[2-(difluoromethyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]amino]-6-oxohex-4-en-2-yl]oxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655670
N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide
CID 154655780
N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-methoxypyridine-2-carboxamide
CID 154655795
6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655839
ethane;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3,4-difluorobenzamide;N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655989
N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide
CID 154656004
3-[2-[[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxymethyl]cyclopropyl]-N-[2-cyclopropyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
CID 155010162
3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
CID 155010163

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165053076) is 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is CCOc1cc2nc(CC)cn2cc1Br.CCOc1cc2nc(CC)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CC)cn2cc1N.
What is the InChIKey of 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is PZBDEBXUYLQHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2.C11H13BrN2O.C11H15N3O/c1-3-13-11-25-10-12(16(27-4-2)9-18(25)23-13)8-15(26)14-6-5-7-17(24-14)19(20,21)22;2*1-3-8-6-14-7-9(12)10(15-4-2)5-11(14)13-8/h5-7,9-11H,3-4,8H2,1-2H3;5-7H,3-4H2,1-2H3;5-7H,3-4,12H2,1-2H3.
What are the key properties of 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 851.77 g/mol, XLogP of 9.07, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165053076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).