6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

C20H16FN3O2 — CID 27376518

IUPAC6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2ccc(F)cc2)n1)N1CCc2ccccc21
InChIInChI=1S/C20H16FN3O2/c21-16-7-5-14(6-8-16)13-24-19(25)10-9-17(22-24)20(26)23-12-11-15-3-1-2-4-18(15)23/h1-10H,11-13H2
InChIKeyODJGHBHBACHTJB-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.63
Rot. Bonds3

About 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 27376518) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID27376518
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(Cc2ccc(F)cc2)n1)N1CCc2ccccc21
InChIInChI=1S/C20H16FN3O2/c21-16-7-5-14(6-8-16)13-24-19(25)10-9-17(22-24)20(26)23-12-11-15-3-1-2-4-18(15)23/h1-10H,11-13H2
InChIKeyODJGHBHBACHTJB-UHFFFAOYSA-N
XLogP2.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one (CID 27376518) is 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one is O=C(c1ccc(=O)n(Cc2ccc(F)cc2)n1)N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is ODJGHBHBACHTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-7-5-14(6-8-16)13-24-19(25)10-9-17(22-24)20(26)23-12-11-15-3-1-2-4-18(15)23/h1-10H,11-13H2.
What are the key properties of 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 349.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindole-1-carbonyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 27376518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).