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

C40H39F4N7O7 — CID 164982291

IUPAC6-[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
SMILESCCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)F)n3)c(OCC)cc2n1.CCOc1cc2nc(C(=O)N(C)C)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H20F2N4O3.C20H19F2N3O4/c1-4-29-17-9-18-24-15(20(28)25(2)3)11-26(18)10-12(17)8-16(27)13-6-5-7-14(23-13)19(21)22;1-3-28-17-9-18-24-15(20(27)29-4-2)11-25(18)10-12(17)8-16(26)13-6-5-7-14(23-13)19(21)22/h5-7,9-11,19H,4,8H2,1-3H3;5-7,9-11,19H,3-4,8H2,1-2H3
InChIKeyFQXUCZLHOZISTE-UHFFFAOYSA-N
MW805.79 g/mol
LogP6.86
Rot. Bonds15

About 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

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 (PubChem CID 164982291) has the molecular formula C40H39F4N7O7 and a molecular weight of 805.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID164982291
Molecular FormulaC40H39F4N7O7
Molecular Weight805.79 g/mol
Exact Mass805.28
IUPAC Name6-[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
SMILESCCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)F)n3)c(OCC)cc2n1.CCOc1cc2nc(C(=O)N(C)C)cn2cc1CC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H20F2N4O3.C20H19F2N3O4/c1-4-29-17-9-18-24-15(20(28)25(2)3)11-26(18)10-12(17)8-16(27)13-6-5-7-14(23-13)19(21)22;1-3-28-17-9-18-24-15(20(27)29-4-2)11-25(18)10-12(17)8-16(26)13-6-5-7-14(23-13)19(21)22/h5-7,9-11,19H,4,8H2,1-3H3;5-7,9-11,19H,3-4,8H2,1-2H3
InChIKeyFQXUCZLHOZISTE-UHFFFAOYSA-N
XLogP6.86
TPSA159.59 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.79
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)F)n3)c(OCC)cc2n1.CCOc1cc2nc(C(=O)N(C)C)cn2cc1CC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 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?
The InChIKey is FQXUCZLHOZISTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3.C20H19F2N3O4/c1-4-29-17-9-18-24-15(20(28)25(2)3)11-26(18)10-12(17)8-16(27)13-6-5-7-14(23-13)19(21)22;1-3-28-17-9-18-24-15(20(27)29-4-2)11-25(18)10-12(17)8-16(26)13-6-5-7-14(23-13)19(21)22/h5-7,9-11,19H,4,8H2,1-3H3;5-7,9-11,19H,3-4,8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 805.79 g/mol, XLogP of 6.86, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164982291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).