3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione

C15H18FN3O4 — CID 171847179

IUPAC3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione
SMILESCCn1c2c(c(=O)n1C1CCC(=O)NC1=O)=CC(OC)CC=2F
InChIInChI=1S/C15H18FN3O4/c1-3-18-13-9(6-8(23-2)7-10(13)16)15(22)19(18)11-4-5-12(20)17-14(11)21/h6,8,11H,3-5,7H2,1-2H3,(H,17,20,21)
InChIKeyLRWZWZPJEDIIMR-UHFFFAOYSA-N
MW323.32 g/mol
LogP-1.08
Rot. Bonds3

About 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione

3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione (PubChem CID 171847179) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione
PubChem CID171847179
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Name3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione
SMILESCCn1c2c(c(=O)n1C1CCC(=O)NC1=O)=CC(OC)CC=2F
InChIInChI=1S/C15H18FN3O4/c1-3-18-13-9(6-8(23-2)7-10(13)16)15(22)19(18)11-4-5-12(20)17-14(11)21/h6,8,11H,3-5,7H2,1-2H3,(H,17,20,21)
InChIKeyLRWZWZPJEDIIMR-UHFFFAOYSA-N
XLogP-1.08
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione (CID 171847179) is 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione is CCn1c2c(c(=O)n1C1CCC(=O)NC1=O)=CC(OC)CC=2F.
What is the InChIKey of 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione?
The InChIKey is LRWZWZPJEDIIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c1-3-18-13-9(6-8(23-2)7-10(13)16)15(22)19(18)11-4-5-12(20)17-14(11)21/h6,8,11H,3-5,7H2,1-2H3,(H,17,20,21).
What are the key properties of 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione?
3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione has a molecular weight of 323.32 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-7-fluoro-5-methoxy-3-oxo-5,6-dihydroindazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 171847179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).