methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate

C21H21F2N3O4 — CID 165017034

IUPACmethyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOc1cc2nc(CCC(=O)OC)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H21F2N3O4/c1-3-30-18-10-19-24-14(7-8-20(28)29-2)12-26(19)11-13(18)9-17(27)15-5-4-6-16(25-15)21(22)23/h4-6,10-12,21H,3,7-9H2,1-2H3
InChIKeyNXXMWROYZUGXOC-UHFFFAOYSA-N
MW417.41 g/mol
LogP3.60
Rot. Bonds9

About methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate

methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate (PubChem CID 165017034) has the molecular formula C21H21F2N3O4 and a molecular weight of 417.41 g/mol. Its IUPAC name is methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
PubChem CID165017034
Molecular FormulaC21H21F2N3O4
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC Namemethyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOc1cc2nc(CCC(=O)OC)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C21H21F2N3O4/c1-3-30-18-10-19-24-14(7-8-20(28)29-2)12-26(19)11-13(18)9-17(27)15-5-4-6-16(25-15)21(22)23/h4-6,10-12,21H,3,7-9H2,1-2H3
InChIKeyNXXMWROYZUGXOC-UHFFFAOYSA-N
XLogP3.60
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 154655144
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
1-[[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-one
CID 165085860
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 165007665
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164977707
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282
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
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-fluorophenyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 165070784
2-[2-[(S)-cyclopropyl(hydroxy)methyl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 164976433
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
CID 164986455
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164983084
6-(difluoromethyl)-N-[7-ethoxy-2-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;methyl 1-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 164993718

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The IUPAC name of methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate (CID 165017034) is methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The canonical SMILES for methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate is CCOc1cc2nc(CCC(=O)OC)cn2cc1CC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The InChIKey is NXXMWROYZUGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4/c1-3-30-18-10-19-24-14(7-8-20(28)29-2)12-26(19)11-13(18)9-17(27)15-5-4-6-16(25-15)21(22)23/h4-6,10-12,21H,3,7-9H2,1-2H3.
What are the key properties of methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate has a molecular weight of 417.41 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate is sourced from PubChem (CID 165017034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).