methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate

C20H20F3N3O4 — CID 46865120

IUPACmethyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
SMILESCOC(=O)C(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(C)(C)C
InChIInChI=1S/C20H20F3N3O4/c1-19(2,3)15(18(28)29-4)25-17(27)14-9-26-8-12(11-5-6-30-10-11)7-13(16(26)24-14)20(21,22)23/h5-10,15H,1-4H3,(H,25,27)
InChIKeyRZCTUMQHYCJFOL-UHFFFAOYSA-N
MW423.39 g/mol
LogP3.93
Rot. Bonds4

About methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate

methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate (PubChem CID 46865120) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
PubChem CID46865120
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Namemethyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
SMILESCOC(=O)C(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(C)(C)C
InChIInChI=1S/C20H20F3N3O4/c1-19(2,3)15(18(28)29-4)25-17(27)14-9-26-8-12(11-5-6-30-10-11)7-13(16(26)24-14)20(21,22)23/h5-10,15H,1-4H3,(H,25,27)
InChIKeyRZCTUMQHYCJFOL-UHFFFAOYSA-N
XLogP3.93
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate?
The IUPAC name of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate (CID 46865120) is methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate?
The canonical SMILES for methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate is COC(=O)C(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)C(C)(C)C.
What is the InChIKey of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate?
The InChIKey is RZCTUMQHYCJFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c1-19(2,3)15(18(28)29-4)25-17(27)14-9-26-8-12(11-5-6-30-10-11)7-13(16(26)24-14)20(21,22)23/h5-10,15H,1-4H3,(H,25,27).
What are the key properties of methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate?
methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate has a molecular weight of 423.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate is sourced from PubChem (CID 46865120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).