ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate

C27H18ClFN4O2 — CID 71007859

IUPACethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C27H18ClFN4O2/c1-2-35-27(34)24-7-3-6-23(32-24)17-11-16(14-30-15-17)20-13-25(21-12-18(28)8-9-22(21)29)33-26-19(20)5-4-10-31-26/h3-15H,2H2,1H3
InChIKeyGBZURIPAUVTYBP-UHFFFAOYSA-N
MW484.92 g/mol
LogP6.39
Rot. Bonds5

About ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate

ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 71007859) has the molecular formula C27H18ClFN4O2 and a molecular weight of 484.92 g/mol. Its IUPAC name is ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate
PubChem CID71007859
Molecular FormulaC27H18ClFN4O2
Molecular Weight484.92 g/mol
Exact Mass484.11
IUPAC Nameethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C27H18ClFN4O2/c1-2-35-27(34)24-7-3-6-23(32-24)17-11-16(14-30-15-17)20-13-25(21-12-18(28)8-9-22(21)29)33-26-19(20)5-4-10-31-26/h3-15H,2H2,1H3
InChIKeyGBZURIPAUVTYBP-UHFFFAOYSA-N
XLogP6.39
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.92
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-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 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate (CID 71007859) is ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1.
What is the InChIKey of ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate?
The InChIKey is GBZURIPAUVTYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClFN4O2/c1-2-35-27(34)24-7-3-6-23(32-24)17-11-16(14-30-15-17)20-13-25(21-12-18(28)8-9-22(21)29)33-26-19(20)5-4-10-31-26/h3-15H,2H2,1H3.
What are the key properties of ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate?
ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 484.92 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 71007859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).