3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione

C15H16FN3O2 — CID 176931807

IUPAC3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione
SMILESCCc1c(F)ccc2c1c(C)nn2C1CCC(=O)NC1=O
InChIInChI=1S/C15H16FN3O2/c1-3-9-10(16)4-5-11-14(9)8(2)18-19(11)12-6-7-13(20)17-15(12)21/h4-5,12H,3,6-7H2,1-2H3,(H,17,20,21)
InChIKeyIRRWEACYQQZVFR-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.02
Rot. Bonds2

About 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione

3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione (PubChem CID 176931807) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione
PubChem CID176931807
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione
SMILESCCc1c(F)ccc2c1c(C)nn2C1CCC(=O)NC1=O
InChIInChI=1S/C15H16FN3O2/c1-3-9-10(16)4-5-11-14(9)8(2)18-19(11)12-6-7-13(20)17-15(12)21/h4-5,12H,3,6-7H2,1-2H3,(H,17,20,21)
InChIKeyIRRWEACYQQZVFR-UHFFFAOYSA-N
XLogP2.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403
3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione
CID 164596399
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
2-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]acetaldehyde
CID 166948213
3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione
CID 176933551
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
3-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273255
3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175469479
4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
CID 168872411
3-[4-methyl-3-(3-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273161

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione (CID 176931807) is 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione is CCc1c(F)ccc2c1c(C)nn2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione?
The InChIKey is IRRWEACYQQZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-3-9-10(16)4-5-11-14(9)8(2)18-19(11)12-6-7-13(20)17-15(12)21/h4-5,12H,3,6-7H2,1-2H3,(H,17,20,21).
What are the key properties of 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione?
3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione has a molecular weight of 289.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 176931807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).