6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde

C19H20N4O2 — CID 85473237

IUPAC6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1
InChIInChI=1S/C19H20N4O2/c1-13(2)23-17(8-10-21-23)19-15(5-4-9-20-19)12-25-18-7-6-14(3)22-16(18)11-24/h4-11,13H,12H2,1-3H3
InChIKeyLGCAFAIFMIUXNI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.62
Rot. Bonds6

About 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde

6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde (PubChem CID 85473237) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
PubChem CID85473237
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1
InChIInChI=1S/C19H20N4O2/c1-13(2)23-17(8-10-21-23)19-15(5-4-9-20-19)12-25-18-7-6-14(3)22-16(18)11-24/h4-11,13H,12H2,1-3H3
InChIKeyLGCAFAIFMIUXNI-UHFFFAOYSA-N
XLogP3.62
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
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 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde (CID 85473237) is 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde is Cc1ccc(OCc2cccnc2-c2ccnn2C(C)C)c(C=O)n1.
What is the InChIKey of 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
The InChIKey is LGCAFAIFMIUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)23-17(8-10-21-23)19-15(5-4-9-20-19)12-25-18-7-6-14(3)22-16(18)11-24/h4-11,13H,12H2,1-3H3.
What are the key properties of 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde?
6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde has a molecular weight of 336.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 85473237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).