9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

C21H12ClFN4 — CID 46192932

IUPAC9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESFc1cccc(-c2cc3cccnc3n3c(-c4ccc(Cl)cc4)nnc23)c1
InChIInChI=1S/C21H12ClFN4/c22-16-8-6-13(7-9-16)20-25-26-21-18(14-3-1-5-17(23)11-14)12-15-4-2-10-24-19(15)27(20)21/h1-12H
InChIKeyNHBWTDCHBXHDOK-UHFFFAOYSA-N
MW374.81 g/mol
LogP5.40
Rot. Bonds2

About 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (PubChem CID 46192932) has the molecular formula C21H12ClFN4 and a molecular weight of 374.81 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.

Molecular Properties

Compound Name9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
PubChem CID46192932
Molecular FormulaC21H12ClFN4
Molecular Weight374.81 g/mol
Exact Mass374.07
IUPAC Name9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESFc1cccc(-c2cc3cccnc3n3c(-c4ccc(Cl)cc4)nnc23)c1
InChIInChI=1S/C21H12ClFN4/c22-16-8-6-13(7-9-16)20-25-26-21-18(14-3-1-5-17(23)11-14)12-15-4-2-10-24-19(15)27(20)21/h1-12H
InChIKeyNHBWTDCHBXHDOK-UHFFFAOYSA-N
XLogP5.40
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.81
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine with MolForge

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Related Compounds

9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 10981942
4-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridin-9-yl]-N,N-dimethylaniline
CID 11003892
7-chloro-14-phenyl-1,3,11,12,20-pentazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2,4(9),5,7,10,12,14,16(21),17,19-decaene
CID 10571921
ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411
6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
8-chloro-6-(3-fluorophenyl)quinoline
CID 174995672
4-chloro-3-(3-fluorophenyl)-2-methylpyridine
CID 165448690
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522
6-(2-chloro-4-fluorophenyl)-9-(3-nitrophenyl)imidazo[1,2-a][1,8]naphthyridine
CID 134811819
2-(4-chlorophenyl)-3-fluoropyridine
CID 66678603
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The IUPAC name of 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (CID 46192932) is 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.
What is the SMILES notation for 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The canonical SMILES for 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is Fc1cccc(-c2cc3cccnc3n3c(-c4ccc(Cl)cc4)nnc23)c1.
What is the InChIKey of 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The InChIKey is NHBWTDCHBXHDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN4/c22-16-8-6-13(7-9-16)20-25-26-21-18(14-3-1-5-17(23)11-14)12-15-4-2-10-24-19(15)27(20)21/h1-12H.
What are the key properties of 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine has a molecular weight of 374.81 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is sourced from PubChem (CID 46192932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).