2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C17H16N4O3 — CID 85472869

IUPAC2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2[nH]ncc2C)cn1
InChIInChI=1S/C17H16N4O3/c1-11-7-20-21-16(11)17-12(4-3-5-18-17)10-24-14-8-19-15(23-2)6-13(14)9-22/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyUTVYKQIAACPLMS-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.58
Rot. Bonds6

About 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 85472869) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID85472869
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2[nH]ncc2C)cn1
InChIInChI=1S/C17H16N4O3/c1-11-7-20-21-16(11)17-12(4-3-5-18-17)10-24-14-8-19-15(23-2)6-13(14)9-22/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyUTVYKQIAACPLMS-UHFFFAOYSA-N
XLogP2.58
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 85472869) is 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccnc2-c2[nH]ncc2C)cn1.
What is the InChIKey of 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is UTVYKQIAACPLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-7-20-21-16(11)17-12(4-3-5-18-17)10-24-14-8-19-15(23-2)6-13(14)9-22/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 324.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(4-methyl-1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 85472869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).