ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

C22H24ClFN2O2 — CID 150019757

IUPACethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1ccc(Cl)c(F)c1)CC2C1CCCC1
InChIInChI=1S/C22H24ClFN2O2/c1-2-28-22(27)21-10-17-15(11-25-21)12-26(13-18(17)14-5-3-4-6-14)16-7-8-19(23)20(24)9-16/h7-11,14,18H,2-6,12-13H2,1H3
InChIKeyDFADYYHPQMLXSQ-UHFFFAOYSA-N
MW402.90 g/mol
LogP5.34
Rot. Bonds4

About ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (PubChem CID 150019757) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
PubChem CID150019757
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Nameethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1ccc(Cl)c(F)c1)CC2C1CCCC1
InChIInChI=1S/C22H24ClFN2O2/c1-2-28-22(27)21-10-17-15(11-25-21)12-26(13-18(17)14-5-3-4-6-14)16-7-8-19(23)20(24)9-16/h7-11,14,18H,2-6,12-13H2,1H3
InChIKeyDFADYYHPQMLXSQ-UHFFFAOYSA-N
XLogP5.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.90
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-cyclopentyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
CID 150455155
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 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
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 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090
ethyl (5R)-1-acetyl-7-(4-chloro-3-fluorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
CID 7460072
ethyl 6-[[1-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperidin-3-yl]-methylamino]pyridine-3-carboxylate
CID 170606519
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (CID 150019757) is ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(cn1)CN(c1ccc(Cl)c(F)c1)CC2C1CCCC1.
What is the InChIKey of ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The InChIKey is DFADYYHPQMLXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c1-2-28-22(27)21-10-17-15(11-25-21)12-26(13-18(17)14-5-3-4-6-14)16-7-8-19(23)20(24)9-16/h7-11,14,18H,2-6,12-13H2,1H3.
What are the key properties of ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate has a molecular weight of 402.90 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-chloro-3-fluorophenyl)-5-cyclopentyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 150019757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).