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

C19H20N4O3 — CID 85473369

IUPAC3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cncc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C19H20N4O3/c1-13(2)23-16(6-8-22-23)19-14(5-4-7-21-19)12-26-18-10-20-9-17(25-3)15(18)11-24/h4-11,13H,12H2,1-3H3
InChIKeyYTOAFICYALDHSA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.32
Rot. Bonds7

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

3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 85473369) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID85473369
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cncc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C19H20N4O3/c1-13(2)23-16(6-8-22-23)19-14(5-4-7-21-19)12-26-18-10-20-9-17(25-3)15(18)11-24/h4-11,13H,12H2,1-3H3
InChIKeyYTOAFICYALDHSA-UHFFFAOYSA-N
XLogP3.32
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.32
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 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 85473369) is 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is COc1cncc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O.
What is the InChIKey of 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is YTOAFICYALDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(2)23-16(6-8-22-23)19-14(5-4-7-21-19)12-26-18-10-20-9-17(25-3)15(18)11-24/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 352.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 85473369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).