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

C27H25F3N4O — CID 24734725

IUPAC5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCOc1cccc(CN2CCN(c3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1
InChIInChI=1S/C27H25F3N4O/c1-35-21-9-5-6-19(16-21)18-33-12-14-34(15-13-33)26-22-10-11-24(27(28,29)30)32-25(22)23(17-31-26)20-7-3-2-4-8-20/h2-11,16-17H,12-15,18H2,1H3
InChIKeySXAJCOVNYUFKHC-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.65
Rot. Bonds5

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

5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 24734725) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID24734725
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCOc1cccc(CN2CCN(c3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1
InChIInChI=1S/C27H25F3N4O/c1-35-21-9-5-6-19(16-21)18-33-12-14-34(15-13-33)26-22-10-11-24(27(28,29)30)32-25(22)23(17-31-26)20-7-3-2-4-8-20/h2-11,16-17H,12-15,18H2,1H3
InChIKeySXAJCOVNYUFKHC-UHFFFAOYSA-N
XLogP5.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734722
1-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 24734768
N-(3-methoxyphenyl)-4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepane-1-carboxamide
CID 24734644
cyclopropyl-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734770
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
(4-fluorophenyl)-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734771
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
8-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171692683
1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
CID 70079103
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-[[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethylamino]methyl]benzonitrile;hydrochloride
CID 24735949
3-[[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 24735005

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine (CID 24734725) is 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine is COc1cccc(CN2CCN(c3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)c1.
What is the InChIKey of 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is SXAJCOVNYUFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-35-21-9-5-6-19(16-21)18-33-12-14-34(15-13-33)26-22-10-11-24(27(28,29)30)32-25(22)23(17-31-26)20-7-3-2-4-8-20/h2-11,16-17H,12-15,18H2,1H3.
What are the key properties of 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine?
5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 478.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 24734725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).