ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate

C18H15ClF3N3O4 — CID 171552896

IUPACethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(Oc3ncc(Cl)cc3OCC(F)(F)F)cn2c1C
InChIInChI=1S/C18H15ClF3N3O4/c1-3-27-17(26)15-10(2)25-8-12(4-5-14(25)24-15)29-16-13(6-11(19)7-23-16)28-9-18(20,21)22/h4-8H,3,9H2,1-2H3
InChIKeyAYVGZFLISKGORG-UHFFFAOYSA-N
MW429.78 g/mol
LogP4.60
Rot. Bonds6

About ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 171552896) has the molecular formula C18H15ClF3N3O4 and a molecular weight of 429.78 g/mol. Its IUPAC name is ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID171552896
Molecular FormulaC18H15ClF3N3O4
Molecular Weight429.78 g/mol
Exact Mass429.07
IUPAC Nameethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(Oc3ncc(Cl)cc3OCC(F)(F)F)cn2c1C
InChIInChI=1S/C18H15ClF3N3O4/c1-3-27-17(26)15-10(2)25-8-12(4-5-14(25)24-15)29-16-13(6-11(19)7-23-16)28-9-18(20,21)22/h4-8H,3,9H2,1-2H3
InChIKeyAYVGZFLISKGORG-UHFFFAOYSA-N
XLogP4.60
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 171552896) is ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(Oc3ncc(Cl)cc3OCC(F)(F)F)cn2c1C.
What is the InChIKey of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is AYVGZFLISKGORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O4/c1-3-27-17(26)15-10(2)25-8-12(4-5-14(25)24-15)29-16-13(6-11(19)7-23-16)28-9-18(20,21)22/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 429.78 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 171552896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).