2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

C21H21F2N3O3 — CID 164979534

IUPAC2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESCOCCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H21F2N3O3/c1-28-7-8-29-19-10-20-25-17(13-5-6-13)12-26(20)11-14(19)9-18(27)15-3-2-4-16(24-15)21(22)23/h2-4,10-13,21H,5-9H2,1H3
InChIKeyFGWMDEIXQSYKNH-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.99
Rot. Bonds9

About 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (PubChem CID 164979534) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
PubChem CID164979534
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESCOCCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H21F2N3O3/c1-28-7-8-29-19-10-20-25-17(13-5-6-13)12-26(20)11-14(19)9-18(27)15-3-2-4-16(24-15)21(22)23/h2-4,10-13,21H,5-9H2,1H3
InChIKeyFGWMDEIXQSYKNH-UHFFFAOYSA-N
XLogP3.99
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[6-(difluoromethyl)-2-pyridinyl]-2-[7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165046881
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164977707
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
CID 164986455
methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 165017034
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165007665
1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one
CID 165085860
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
6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655195
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 165070784
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
N-[2-cyclopropyl-7-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655340

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (CID 164979534) is 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is COCCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is FGWMDEIXQSYKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-28-7-8-29-19-10-20-25-17(13-5-6-13)12-26(20)11-14(19)9-18(27)15-3-2-4-16(24-15)21(22)23/h2-4,10-13,21H,5-9H2,1H3.
What are the key properties of 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 401.41 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 164979534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).