5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine

C18H17F3N4O2 — CID 146591496

IUPAC5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
SMILESCC1=NNCN1c1ccc(Oc2ccc3c(c2)C(C)(C(F)(F)F)OC3)nc1
InChIInChI=1S/C18H17F3N4O2/c1-11-24-23-10-25(11)13-4-6-16(22-8-13)27-14-5-3-12-9-26-17(2,15(12)7-14)18(19,20)21/h3-8,23H,9-10H2,1-2H3
InChIKeyFOVPKQASCQNCKJ-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.88
Rot. Bonds3

About 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine

5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine (PubChem CID 146591496) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine.

Molecular Properties

Compound Name5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
PubChem CID146591496
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
SMILESCC1=NNCN1c1ccc(Oc2ccc3c(c2)C(C)(C(F)(F)F)OC3)nc1
InChIInChI=1S/C18H17F3N4O2/c1-11-24-23-10-25(11)13-4-6-16(22-8-13)27-14-5-3-12-9-26-17(2,15(12)7-14)18(19,20)21/h3-8,23H,9-10H2,1-2H3
InChIKeyFOVPKQASCQNCKJ-UHFFFAOYSA-N
XLogP3.88
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 164624920
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 164620688
(5R)-5-ethyl-5-methyl-3-[6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-yl]imidazolidine-2,4-dione
CID 71089961
(5R)-5-ethyl-3-[6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-yl]imidazolidine-2,4-dione
CID 71090205
(5R)-5-ethyl-5-methyl-3-[5-methyl-6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-yl]imidazolidine-2,4-dione
CID 71090336
5-(4,4-dimethylimidazolidin-1-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
CID 71090354
5-(5,5-dimethyl-4H-imidazol-3-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
CID 71090355
6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-amine
CID 71112992
5,5-dimethyl-3-[6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-yl]imidazolidine-2,4-dione
CID 71112998
5,5-Dimethyl-3-[6-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyridin-3-yl]imidazolidine-2,4-dione
CID 71113067
5-ethyl-5-methyl-3-[6-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridin-3-yl]imidazolidine-2,4-dione
CID 78006047
5-methyl-4-{6-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 90023954

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
The IUPAC name of 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine (CID 146591496) is 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine.
What is the SMILES notation for 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
The canonical SMILES for 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine is CC1=NNCN1c1ccc(Oc2ccc3c(c2)C(C)(C(F)(F)F)OC3)nc1.
What is the InChIKey of 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
The InChIKey is FOVPKQASCQNCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-11-24-23-10-25(11)13-4-6-16(22-8-13)27-14-5-3-12-9-26-17(2,15(12)7-14)18(19,20)21/h3-8,23H,9-10H2,1-2H3.
What are the key properties of 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine?
5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine has a molecular weight of 378.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine is sourced from PubChem (CID 146591496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).