3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde

C20H22N4O — CID 89494330

IUPAC3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCCN1CCC(c2ccc(-c3cnc4ccc(C=O)nn34)cc2)CC1
InChIInChI=1S/C20H22N4O/c1-2-23-11-9-16(10-12-23)15-3-5-17(6-4-15)19-13-21-20-8-7-18(14-25)22-24(19)20/h3-8,13-14,16H,2,9-12H2,1H3
InChIKeyWIJHTLXDFOKUEP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.41
Rot. Bonds4

About 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde

3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde (PubChem CID 89494330) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde.

Molecular Properties

Compound Name3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde
PubChem CID89494330
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde
SMILESCCN1CCC(c2ccc(-c3cnc4ccc(C=O)nn34)cc2)CC1
InChIInChI=1S/C20H22N4O/c1-2-23-11-9-16(10-12-23)15-3-5-17(6-4-15)19-13-21-20-8-7-18(14-25)22-24(19)20/h3-8,13-14,16H,2,9-12H2,1H3
InChIKeyWIJHTLXDFOKUEP-UHFFFAOYSA-N
XLogP3.41
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde?
The IUPAC name of 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde (CID 89494330) is 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde.
What is the SMILES notation for 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde?
The canonical SMILES for 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde is CCN1CCC(c2ccc(-c3cnc4ccc(C=O)nn34)cc2)CC1.
What is the InChIKey of 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde?
The InChIKey is WIJHTLXDFOKUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-23-11-9-16(10-12-23)15-3-5-17(6-4-15)19-13-21-20-8-7-18(14-25)22-24(19)20/h3-8,13-14,16H,2,9-12H2,1H3.
What are the key properties of 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde?
3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde has a molecular weight of 334.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carbaldehyde is sourced from PubChem (CID 89494330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).