ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

C23H24F4N2O2 — CID 150455155

IUPACethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1ccc(C(F)(F)F)c(F)c1)CC2C1CCCC1
InChIInChI=1S/C23H24F4N2O2/c1-2-31-22(30)21-10-17-15(11-28-21)12-29(13-18(17)14-5-3-4-6-14)16-7-8-19(20(24)9-16)23(25,26)27/h7-11,14,18H,2-6,12-13H2,1H3
InChIKeyHOQBXSPDXFWESE-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.71
Rot. Bonds4

About ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (PubChem CID 150455155) has the molecular formula C23H24F4N2O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
PubChem CID150455155
Molecular FormulaC23H24F4N2O2
Molecular Weight436.45 g/mol
Exact Mass436.18
IUPAC Nameethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1ccc(C(F)(F)F)c(F)c1)CC2C1CCCC1
InChIInChI=1S/C23H24F4N2O2/c1-2-31-22(30)21-10-17-15(11-28-21)12-29(13-18(17)14-5-3-4-6-14)16-7-8-19(20(24)9-16)23(25,26)27/h7-11,14,18H,2-6,12-13H2,1H3
InChIKeyHOQBXSPDXFWESE-UHFFFAOYSA-N
XLogP5.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 150019757
ethyl 7-(4-chloro-3-fluorophenyl)-5-ethyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 151084489
5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 150204771
ethyl 7-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619963
ethyl 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carboxylate
CID 118209253
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619982
ethyl 7-[6-fluoro-4-(3-methoxyazetidin-1-yl)-2-pyridinyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 142619939
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]imidazole-4-carboxylate
CID 156825895
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821
ethyl 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-6-carboxylate;2,2,2-trifluoroacetic acid
CID 175875728
ethyl 2,3,6-trifluoro-4-(trifluoromethyl)benzoate
CID 170871947

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (CID 150455155) is ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(cn1)CN(c1ccc(C(F)(F)F)c(F)c1)CC2C1CCCC1.
What is the InChIKey of ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The InChIKey is HOQBXSPDXFWESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O2/c1-2-31-22(30)21-10-17-15(11-28-21)12-29(13-18(17)14-5-3-4-6-14)16-7-8-19(20(24)9-16)23(25,26)27/h7-11,14,18H,2-6,12-13H2,1H3.
What are the key properties of ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate has a molecular weight of 436.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 150455155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).