ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate

C15H9F3N4O2 — CID 142297926

IUPACethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
SMILESCCOC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C#N)nc32)n1
InChIInChI=1S/C15H9F3N4O2/c1-2-24-14(23)11-7-22-12(21-11)4-3-9-10(15(16,17)18)5-8(6-19)20-13(9)22/h3-5,7H,2H2,1H3
InChIKeyHXEKDEBEOIIUBB-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.95
Rot. Bonds2

About ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate

ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate (PubChem CID 142297926) has the molecular formula C15H9F3N4O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
PubChem CID142297926
Molecular FormulaC15H9F3N4O2
Molecular Weight334.26 g/mol
Exact Mass334.07
IUPAC Nameethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
SMILESCCOC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C#N)nc32)n1
InChIInChI=1S/C15H9F3N4O2/c1-2-24-14(23)11-7-22-12(21-11)4-3-9-10(15(16,17)18)5-8(6-19)20-13(9)22/h3-5,7H,2H2,1H3
InChIKeyHXEKDEBEOIIUBB-UHFFFAOYSA-N
XLogP2.95
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
ethyl 6-cyano-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133106970
ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
CID 170622799
ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984
ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
CID 66545150
ethyl 6-iodo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 71741988
8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 172966841
ethyl 5-cyano-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133106979
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
ethyl 4-cyano-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106328
ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate
CID 12763980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
The IUPAC name of ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate (CID 142297926) is ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
The canonical SMILES for ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate is CCOC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C#N)nc32)n1.
What is the InChIKey of ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
The InChIKey is HXEKDEBEOIIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2/c1-2-24-14(23)11-7-22-12(21-11)4-3-9-10(15(16,17)18)5-8(6-19)20-13(9)22/h3-5,7H,2H2,1H3.
What are the key properties of ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate?
ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate has a molecular weight of 334.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxylate is sourced from PubChem (CID 142297926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).