[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone

C17H17F3N4O2 — CID 167809726

IUPAC[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone
SMILESCOc1cccc(C2=CCN(C(=O)c3nn(C)nc3C(F)(F)F)CC2)c1
InChIInChI=1S/C17H17F3N4O2/c1-23-21-14(15(22-23)17(18,19)20)16(25)24-8-6-11(7-9-24)12-4-3-5-13(10-12)26-2/h3-6,10H,7-9H2,1-2H3
InChIKeyQUNRDFPUSPYOQF-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.77
Rot. Bonds3

About [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone

[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone (PubChem CID 167809726) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone
PubChem CID167809726
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone
SMILESCOc1cccc(C2=CCN(C(=O)c3nn(C)nc3C(F)(F)F)CC2)c1
InChIInChI=1S/C17H17F3N4O2/c1-23-21-14(15(22-23)17(18,19)20)16(25)24-8-6-11(7-9-24)12-4-3-5-13(10-12)26-2/h3-6,10H,7-9H2,1-2H3
InChIKeyQUNRDFPUSPYOQF-UHFFFAOYSA-N
XLogP2.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 136534015
2-[3-[1-(2,4-difluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399428
(6-methoxy-1H-indol-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38488127
2-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-phenylacetamide
CID 71935444
[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 99792639
propan-2-yl 2-[3-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]-2-methylpropanoate
CID 22399375
tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 19705303
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate
CID 9346949
2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
CID 22399205
[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122138551
tert-butyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139374312

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone (CID 167809726) is [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone is COc1cccc(C2=CCN(C(=O)c3nn(C)nc3C(F)(F)F)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone?
The InChIKey is QUNRDFPUSPYOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-23-21-14(15(22-23)17(18,19)20)16(25)24-8-6-11(7-9-24)12-4-3-5-13(10-12)26-2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone?
[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone has a molecular weight of 366.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone is sourced from PubChem (CID 167809726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).