2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine

C18H13F3N6O — CID 58831059

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine
SMILESCc1cc(-c2cccc(Oc3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1
InChIInChI=1S/C18H13F3N6O/c1-10-8-13(25-24-10)11-4-2-6-16(22-11)28-17-7-3-5-12(23-17)14-9-15(27-26-14)18(19,20)21/h2-9H,1H3,(H,24,25)(H,26,27)
InChIKeyZBKBOBWSZRLXCQ-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.38
Rot. Bonds4

About 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine

2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine (PubChem CID 58831059) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine
PubChem CID58831059
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine
SMILESCc1cc(-c2cccc(Oc3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1
InChIInChI=1S/C18H13F3N6O/c1-10-8-13(25-24-10)11-4-2-6-16(22-11)28-17-7-3-5-12(23-17)14-9-15(27-26-14)18(19,20)21/h2-9H,1H3,(H,24,25)(H,26,27)
InChIKeyZBKBOBWSZRLXCQ-UHFFFAOYSA-N
XLogP4.38
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10135028
2-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 10271739
1-[6-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]ethanamine
CID 69839926
4-(2-hexoxy-6-methylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 117624314
2-(4-fluorophenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 124112999
2,6-dimethoxy-3-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-2-yl]pyridine
CID 124113005
4-pentoxy-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126726168
4-(2-butyloctoxy)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126726185
4-(2-ethylhexoxy)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126726187
4-(3-butyloctoxy)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 126726188
2-(1H-pyrazol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 141330209
platinum(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[6-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]oxy]-2-pyridinyl]but-1-enyl]azanide
CID 142973455

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine (CID 58831059) is 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine is Cc1cc(-c2cccc(Oc3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine?
The InChIKey is ZBKBOBWSZRLXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c1-10-8-13(25-24-10)11-4-2-6-16(22-11)28-17-7-3-5-12(23-17)14-9-15(27-26-14)18(19,20)21/h2-9H,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine has a molecular weight of 386.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-6-[[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 58831059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).