ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate

C19H22F5N3O3 — CID 146286644

IUPACethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2ncc(C[C@@H](C)C(F)(F)F)cc2OC(F)F)c1C
InChIInChI=1S/C19H22F5N3O3/c1-5-14-26-15(17(28)29-6-2)11(4)27(14)16-13(30-18(20)21)8-12(9-25-16)7-10(3)19(22,23)24/h8-10,18H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyPQOVFVGMRIKOKF-SNVBAGLBSA-N
MW435.39 g/mol
LogP4.66
Rot. Bonds8

About ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate

ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate (PubChem CID 146286644) has the molecular formula C19H22F5N3O3 and a molecular weight of 435.39 g/mol. Its IUPAC name is ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate
PubChem CID146286644
Molecular FormulaC19H22F5N3O3
Molecular Weight435.39 g/mol
Exact Mass435.16
IUPAC Nameethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2ncc(C[C@@H](C)C(F)(F)F)cc2OC(F)F)c1C
InChIInChI=1S/C19H22F5N3O3/c1-5-14-26-15(17(28)29-6-2)11(4)27(14)16-13(30-18(20)21)8-12(9-25-16)7-10(3)19(22,23)24/h8-10,18H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyPQOVFVGMRIKOKF-SNVBAGLBSA-N
XLogP4.66
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate (CID 146286644) is ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(-c2ncc(C[C@@H](C)C(F)(F)F)cc2OC(F)F)c1C.
What is the InChIKey of ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate?
The InChIKey is PQOVFVGMRIKOKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H22F5N3O3/c1-5-14-26-15(17(28)29-6-2)11(4)27(14)16-13(30-18(20)21)8-12(9-25-16)7-10(3)19(22,23)24/h8-10,18H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate?
ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate has a molecular weight of 435.39 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate is sourced from PubChem (CID 146286644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).