2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one

C22H20FN3O2 — CID 16884897

IUPAC2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O2/c23-18-9-7-16(8-10-18)19-11-12-22(28)26(24-19)14-3-6-21(27)25-15-13-17-4-1-2-5-20(17)25/h1-2,4-5,7-12H,3,6,13-15H2
InChIKeyHEIXVGZLOCASCO-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.42
Rot. Bonds5

About 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one

2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 16884897) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID16884897
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O2/c23-18-9-7-16(8-10-18)19-11-12-22(28)26(24-19)14-3-6-21(27)25-15-13-17-4-1-2-5-20(17)25/h1-2,4-5,7-12H,3,6,13-15H2
InChIKeyHEIXVGZLOCASCO-UHFFFAOYSA-N
XLogP3.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 16884897) is 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one is O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)N1CCc2ccccc21.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is HEIXVGZLOCASCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-18-9-7-16(8-10-18)19-11-12-22(28)26(24-19)14-3-6-21(27)25-15-13-17-4-1-2-5-20(17)25/h1-2,4-5,7-12H,3,6,13-15H2.
What are the key properties of 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 377.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 16884897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).