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

C18H18N4O3 — CID 85473368

IUPAC3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1cncc(O)c1C=O
InChIInChI=1S/C18H18N4O3/c1-12(2)22-15(5-7-21-22)18-13(4-3-6-20-18)11-25-17-9-19-8-16(24)14(17)10-23/h3-10,12,24H,11H2,1-2H3
InChIKeyJPZCXANSBYJVHF-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.02
Rot. Bonds6

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

3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 85473368) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID85473368
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1cncc(O)c1C=O
InChIInChI=1S/C18H18N4O3/c1-12(2)22-15(5-7-21-22)18-13(4-3-6-20-18)11-25-17-9-19-8-16(24)14(17)10-23/h3-10,12,24H,11H2,1-2H3
InChIKeyJPZCXANSBYJVHF-UHFFFAOYSA-N
XLogP3.02
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
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-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 85473368) is 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is CC(C)n1nccc1-c1ncccc1COc1cncc(O)c1C=O.
What is the InChIKey of 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is JPZCXANSBYJVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12(2)22-15(5-7-21-22)18-13(4-3-6-20-18)11-25-17-9-19-8-16(24)14(17)10-23/h3-10,12,24H,11H2,1-2H3.
What are the key properties of 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 338.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 85473368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).