ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate

C19H22F5N3O3 — CID 170622799

IUPACethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
SMILESCC.CC.CCOC(=O)c1cn2c(ccc3c(=O)cc(C(F)(F)C(F)(F)F)[nH]c32)n1
InChIInChI=1S/C15H10F5N3O3.2C2H6/c1-2-26-13(25)8-6-23-11(21-8)4-3-7-9(24)5-10(22-12(7)23)14(16,17)15(18,19)20;2*1-2/h3-6H,2H2,1H3,(H,22,24);2*1-2H3
InChIKeyWENVLHBJWVJCOP-UHFFFAOYSA-N
MW435.39 g/mol
LogP5.06
Rot. Bonds3

About ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate

ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate (PubChem CID 170622799) has the molecular formula C19H22F5N3O3 and a molecular weight of 435.39 g/mol. Its IUPAC name is ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
PubChem CID170622799
Molecular FormulaC19H22F5N3O3
Molecular Weight435.39 g/mol
Exact Mass435.16
IUPAC Nameethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
SMILESCC.CC.CCOC(=O)c1cn2c(ccc3c(=O)cc(C(F)(F)C(F)(F)F)[nH]c32)n1
InChIInChI=1S/C15H10F5N3O3.2C2H6/c1-2-26-13(25)8-6-23-11(21-8)4-3-7-9(24)5-10(22-12(7)23)14(16,17)15(18,19)20;2*1-2/h3-6H,2H2,1H3,(H,22,24);2*1-2H3
InChIKeyWENVLHBJWVJCOP-UHFFFAOYSA-N
XLogP5.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
CID 142297926
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764
ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethyl 12-fluoro-10-(4-methylphenyl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-4-carboxylate
CID 177138721
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate
CID 12763980
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 165401365
ethyl 4-oxo-12-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaene-5-carboxylate
CID 101411030

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
The IUPAC name of ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate (CID 170622799) is ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate.
What is the SMILES notation for ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
The canonical SMILES for ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate is CC.CC.CCOC(=O)c1cn2c(ccc3c(=O)cc(C(F)(F)C(F)(F)F)[nH]c32)n1.
What is the InChIKey of ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
The InChIKey is WENVLHBJWVJCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O3.2C2H6/c1-2-26-13(25)8-6-23-11(21-8)4-3-7-9(24)5-10(22-12(7)23)14(16,17)15(18,19)20;2*1-2/h3-6H,2H2,1H3,(H,22,24);2*1-2H3.
What are the key properties of ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate has a molecular weight of 435.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate is sourced from PubChem (CID 170622799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).