[6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C32H32F3N3O2 — CID 10230869

IUPAC[6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCCc1ccc(CCOc2ccc3cc(C(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)ccc3c2)nc1
InChIInChI=1S/C32H32F3N3O2/c1-2-23-5-11-29(36-21-23)13-18-40-30-12-8-25-19-27(7-6-26(25)20-30)31(39)38-16-14-37(15-17-38)22-24-3-9-28(10-4-24)32(33,34)35/h3-12,19-21H,2,13-18,22H2,1H3
InChIKeyJXYCHMRLZJAEMA-UHFFFAOYSA-N
MW547.62 g/mol
LogP6.40
Rot. Bonds8

About [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 10230869) has the molecular formula C32H32F3N3O2 and a molecular weight of 547.62 g/mol. Its IUPAC name is [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID10230869
Molecular FormulaC32H32F3N3O2
Molecular Weight547.62 g/mol
Exact Mass547.24
IUPAC Name[6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCCc1ccc(CCOc2ccc3cc(C(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)ccc3c2)nc1
InChIInChI=1S/C32H32F3N3O2/c1-2-23-5-11-29(36-21-23)13-18-40-30-12-8-25-19-27(7-6-26(25)20-30)31(39)38-16-14-37(15-17-38)22-24-3-9-28(10-4-24)32(33,34)35/h3-12,19-21H,2,13-18,22H2,1H3
InChIKeyJXYCHMRLZJAEMA-UHFFFAOYSA-N
XLogP6.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Biarylether amide quinoline, 4g
CID 44123769
Biarylether amide quinoline, 4d
CID 44472994
Biarylether amide quinoline, 4e
CID 44472995
Biarylether amide quinoline, 4f
CID 44472996
(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899
(6-Methoxy-2-naphthyl){1-[(6-methylpyridin-2-yl)methyl]piperidin-3-yl}methanone
CID 16188360
1-(4-Ethylphenyl)-3-methyl-6-(4-(4-(1-phenylvinyl)cyclohexyl)butyl)-1,2,3,4-tetrahydronaphthalene
CID 11540601
(4-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)piperazin-1-yl)(1-methyl-1H-pyrrol-2-yl)methanone
CID 11620342
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794673
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794679
4-{[7-({[4-(Aminomethyl)-3-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-Nmethylpyridine-2-carboxamide
CID 23585318
4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585320

Frequently Asked Questions

What is the IUPAC name of [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 10230869) is [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is CCc1ccc(CCOc2ccc3cc(C(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)ccc3c2)nc1.
What is the InChIKey of [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is JXYCHMRLZJAEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O2/c1-2-23-5-11-29(36-21-23)13-18-40-30-12-8-25-19-27(7-6-26(25)20-30)31(39)38-16-14-37(15-17-38)22-24-3-9-28(10-4-24)32(33,34)35/h3-12,19-21H,2,13-18,22H2,1H3.
What are the key properties of [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 547.62 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(5-ethyl-2-pyridinyl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 10230869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).