2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine

C16H16N4O — CID 123273621

IUPAC2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
SMILESCc1cc(C)c(Oc2ccnc(-c3cnn(C)c3)c2)cn1
InChIInChI=1S/C16H16N4O/c1-11-6-12(2)18-9-16(11)21-14-4-5-17-15(7-14)13-8-19-20(3)10-13/h4-10H,1-3H3
InChIKeyVLQCDWCWPFTJIE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.29
Rot. Bonds3

About 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine

2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine (PubChem CID 123273621) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
PubChem CID123273621
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
SMILESCc1cc(C)c(Oc2ccnc(-c3cnn(C)c3)c2)cn1
InChIInChI=1S/C16H16N4O/c1-11-6-12(2)18-9-16(11)21-14-4-5-17-15(7-14)13-8-19-20(3)10-13/h4-10H,1-3H3
InChIKeyVLQCDWCWPFTJIE-UHFFFAOYSA-N
XLogP3.29
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
The IUPAC name of 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine (CID 123273621) is 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
The canonical SMILES for 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine is Cc1cc(C)c(Oc2ccnc(-c3cnn(C)c3)c2)cn1.
What is the InChIKey of 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
The InChIKey is VLQCDWCWPFTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-6-12(2)18-9-16(11)21-14-4-5-17-15(7-14)13-8-19-20(3)10-13/h4-10H,1-3H3.
What are the key properties of 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine?
2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine has a molecular weight of 280.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine is sourced from PubChem (CID 123273621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).