methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate

C20H20F2N4O4 — CID 154655144

IUPACmethyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOc1cc2nc(CCC(=O)OC)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H20F2N4O4/c1-3-30-16-9-17-23-12(7-8-18(27)29-2)10-26(17)11-15(16)25-20(28)14-6-4-5-13(24-14)19(21)22/h4-6,9-11,19H,3,7-8H2,1-2H3,(H,25,28)
InChIKeyHTCFQXCUNZCOHI-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.42
Rot. Bonds8

About methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate

methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate (PubChem CID 154655144) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
PubChem CID154655144
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC Namemethyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOc1cc2nc(CCC(=O)OC)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H20F2N4O4/c1-3-30-16-9-17-23-12(7-8-18(27)29-2)10-26(17)11-15(16)25-20(28)14-6-4-5-13(24-14)19(21)22/h4-6,9-11,19H,3,7-8H2,1-2H3,(H,25,28)
InChIKeyHTCFQXCUNZCOHI-UHFFFAOYSA-N
XLogP3.42
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 165017034
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
6-acetamido-N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)pyridine-2-carboxamide
CID 154655727
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
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)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655195
4-(2-bromoacetyl)oxane-4-carbonitrile;4-cyanooxane-4-carboxylic acid;N-[2-(4-cyanooxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide;ethyl 4-cyanooxane-4-carboxylate
CID 165027467
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 164996643
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164977707
N-[2-(3-hydroxy-3-methylbutyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 155166969
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 methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The IUPAC name of methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate (CID 154655144) is methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The canonical SMILES for methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate is CCOc1cc2nc(CCC(=O)OC)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The InChIKey is HTCFQXCUNZCOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-3-30-16-9-17-23-12(7-8-18(27)29-2)10-26(17)11-15(16)25-20(28)14-6-4-5-13(24-14)19(21)22/h4-6,9-11,19H,3,7-8H2,1-2H3,(H,25,28).
What are the key properties of methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate has a molecular weight of 418.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate is sourced from PubChem (CID 154655144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).