2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde

C16H15N3O3 — CID 71621900

IUPAC2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccc3c2cnn3C)cn1
InChIInChI=1S/C16H15N3O3/c1-19-14-5-3-4-11(13(14)7-18-19)10-22-15-8-17-16(21-2)6-12(15)9-20/h3-9H,10H2,1-2H3
InChIKeySPIHMKDRPDSOML-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.37
Rot. Bonds5

About 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde (PubChem CID 71621900) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde
PubChem CID71621900
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccc3c2cnn3C)cn1
InChIInChI=1S/C16H15N3O3/c1-19-14-5-3-4-11(13(14)7-18-19)10-22-15-8-17-16(21-2)6-12(15)9-20/h3-9H,10H2,1-2H3
InChIKeySPIHMKDRPDSOML-UHFFFAOYSA-N
XLogP2.37
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-2-methoxyisonicotinaldehyde
CID 85472986
5-(Isoquinolin-1-ylmethoxy)-2-methoxypyridine-4-carbaldehyde
CID 71602700
2-Methoxy-5-(quinolin-2-ylmethoxy)pyridine-4-carbaldehyde
CID 71621290
2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71621761
5-[[2-(1,4-Dimethylpyrazol-5-yl)-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 71622314
2-(2-Methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
2-methoxy-5-((2-(4-methyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)isonicotinaldehyde
CID 85472869
5-[[2-[2-(2-Hydroxyethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 85472991
2-(Difluoromethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 85473234
3-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)-5-methoxyisonicotinaldehyde
CID 85473369
2-Methoxy-5-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 86282029
2-methoxy-5-[[2-(1H-pyrazol-5-yl)quinolin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 89654954

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde (CID 71621900) is 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccc3c2cnn3C)cn1.
What is the InChIKey of 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde?
The InChIKey is SPIHMKDRPDSOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19-14-5-3-4-11(13(14)7-18-19)10-22-15-8-17-16(21-2)6-12(15)9-20/h3-9H,10H2,1-2H3.
What are the key properties of 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde has a molecular weight of 297.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 71621900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).