2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C17H16N4O3 — CID 86282029

IUPAC2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cncc(-c3ccnn3C)c2)cn1
InChIInChI=1S/C17H16N4O3/c1-21-15(3-4-20-21)13-5-12(7-18-8-13)11-24-16-9-19-17(23-2)6-14(16)10-22/h3-10H,11H2,1-2H3
InChIKeyGBHNRVNQMBLNHE-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.28
Rot. Bonds6

About 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 86282029) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID86282029
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cncc(-c3ccnn3C)c2)cn1
InChIInChI=1S/C17H16N4O3/c1-21-15(3-4-20-21)13-5-12(7-18-8-13)11-24-16-9-19-17(23-2)6-14(16)10-22/h3-10H,11H2,1-2H3
InChIKeyGBHNRVNQMBLNHE-UHFFFAOYSA-N
XLogP2.28
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 86282029) is 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cncc(-c3ccnn3C)c2)cn1.
What is the InChIKey of 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is GBHNRVNQMBLNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-21-15(3-4-20-21)13-5-12(7-18-8-13)11-24-16-9-19-17(23-2)6-14(16)10-22/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 324.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 86282029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).