2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde

C19H23FN4O2 — CID 118498111

IUPAC2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde
SMILESCC(C)(CNc1ccc(C2CN(C=O)CCO2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-19(2,14-3-5-15(20)6-4-14)12-21-18-8-7-16(22-23-18)17-11-24(13-25)9-10-26-17/h3-8,13,17H,9-12H2,1-2H3,(H,21,23)
InChIKeyIZVOEJNBZHMXFW-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.54
Rot. Bonds6

About 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde

2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde (PubChem CID 118498111) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde
PubChem CID118498111
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde
SMILESCC(C)(CNc1ccc(C2CN(C=O)CCO2)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-19(2,14-3-5-15(20)6-4-14)12-21-18-8-7-16(22-23-18)17-11-24(13-25)9-10-26-17/h3-8,13,17H,9-12H2,1-2H3,(H,21,23)
InChIKeyIZVOEJNBZHMXFW-UHFFFAOYSA-N
XLogP2.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
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 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde?
The IUPAC name of 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde (CID 118498111) is 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde.
What is the SMILES notation for 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde?
The canonical SMILES for 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde is CC(C)(CNc1ccc(C2CN(C=O)CCO2)nn1)c1ccc(F)cc1.
What is the InChIKey of 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde?
The InChIKey is IZVOEJNBZHMXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2,14-3-5-15(20)6-4-14)12-21-18-8-7-16(22-23-18)17-11-24(13-25)9-10-26-17/h3-8,13,17H,9-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde?
2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde has a molecular weight of 358.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]morpholine-4-carbaldehyde is sourced from PubChem (CID 118498111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).