3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde

C19H20N4O2 — CID 118573227

IUPAC3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde
SMILESCN1CCC(Oc2ccc(-c3c(C=O)cc4ccccn34)nn2)CC1
InChIInChI=1S/C19H20N4O2/c1-22-10-7-16(8-11-22)25-18-6-5-17(20-21-18)19-14(13-24)12-15-4-2-3-9-23(15)19/h2-6,9,12-13,16H,7-8,10-11H2,1H3
InChIKeyWJNKDUXJLSMVLY-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.68
Rot. Bonds4

About 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde

3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde (PubChem CID 118573227) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde.

Molecular Properties

Compound Name3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde
PubChem CID118573227
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde
SMILESCN1CCC(Oc2ccc(-c3c(C=O)cc4ccccn34)nn2)CC1
InChIInChI=1S/C19H20N4O2/c1-22-10-7-16(8-11-22)25-18-6-5-17(20-21-18)19-14(13-24)12-15-4-2-3-9-23(15)19/h2-6,9,12-13,16H,7-8,10-11H2,1H3
InChIKeyWJNKDUXJLSMVLY-UHFFFAOYSA-N
XLogP2.68
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.68
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 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde?
The IUPAC name of 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde (CID 118573227) is 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde.
What is the SMILES notation for 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde?
The canonical SMILES for 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde is CN1CCC(Oc2ccc(-c3c(C=O)cc4ccccn34)nn2)CC1.
What is the InChIKey of 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde?
The InChIKey is WJNKDUXJLSMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-10-7-16(8-11-22)25-18-6-5-17(20-21-18)19-14(13-24)12-15-4-2-3-9-23(15)19/h2-6,9,12-13,16H,7-8,10-11H2,1H3.
What are the key properties of 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde?
3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde has a molecular weight of 336.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde is sourced from PubChem (CID 118573227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).