5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine

C26H22F4N4 — CID 24734722

IUPAC5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFc1cccc(CN2CCN(c3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1
InChIInChI=1S/C26H22F4N4/c27-20-8-4-5-18(15-20)17-33-11-13-34(14-12-33)25-21-9-10-23(26(28,29)30)32-24(21)22(16-31-25)19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2
InChIKeyZZJQHKNKCMESDH-UHFFFAOYSA-N
MW466.48 g/mol
LogP5.78
Rot. Bonds4

About 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine

5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 24734722) has the molecular formula C26H22F4N4 and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID24734722
Molecular FormulaC26H22F4N4
Molecular Weight466.48 g/mol
Exact Mass466.18
IUPAC Name5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFc1cccc(CN2CCN(c3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1
InChIInChI=1S/C26H22F4N4/c27-20-8-4-5-18(15-20)17-33-11-13-34(14-12-33)25-21-9-10-23(26(28,29)30)32-24(21)22(16-31-25)19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2
InChIKeyZZJQHKNKCMESDH-UHFFFAOYSA-N
XLogP5.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734725
(4-fluorophenyl)-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734771
1-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 24734768
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
CID 24735173
cyclopropyl-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734770
3-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carbonyl]benzonitrile
CID 24734737
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
CID 56909083
N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carboxamide
CID 24734605
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]urea
CID 24735919
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-[[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethylamino]methyl]benzonitrile;hydrochloride
CID 24735949
N-(3-fluorophenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepane-1-carboxamide
CID 24734643

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine (CID 24734722) is 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine is Fc1cccc(CN2CCN(c3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1.
What is the InChIKey of 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is ZZJQHKNKCMESDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N4/c27-20-8-4-5-18(15-20)17-33-11-13-34(14-12-33)25-21-9-10-23(26(28,29)30)32-24(21)22(16-31-25)19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2.
What are the key properties of 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 466.48 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 24734722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).