3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione

C15H12FN3O2 — CID 176508930

IUPAC3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
SMILESC#Cc1cc(F)cc2c(C3CCC(=O)NC3=O)nn(C)c12
InChIInChI=1S/C15H12FN3O2/c1-3-8-6-9(16)7-11-13(18-19(2)14(8)11)10-4-5-12(20)17-15(10)21/h1,6-7,10H,4-5H2,2H3,(H,17,20,21)
InChIKeyWBROYGOCJKCINM-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.21
Rot. Bonds1

About 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione

3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione (PubChem CID 176508930) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
PubChem CID176508930
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
SMILESC#Cc1cc(F)cc2c(C3CCC(=O)NC3=O)nn(C)c12
InChIInChI=1S/C15H12FN3O2/c1-3-8-6-9(16)7-11-13(18-19(2)14(8)11)10-4-5-12(20)17-15(10)21/h1,6-7,10H,4-5H2,2H3,(H,17,20,21)
InChIKeyWBROYGOCJKCINM-UHFFFAOYSA-N
XLogP1.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627
3-(6-ethyl-5-hydroxy-1-methylindazol-3-yl)piperidine-2,6-dione
CID 177160916
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 170322178
3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
CID 172587109
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
3-[1-methyl-6-(3-methyl-2-oxopiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 176947865

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione (CID 176508930) is 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione is C#Cc1cc(F)cc2c(C3CCC(=O)NC3=O)nn(C)c12.
What is the InChIKey of 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione?
The InChIKey is WBROYGOCJKCINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-3-8-6-9(16)7-11-13(18-19(2)14(8)11)10-4-5-12(20)17-15(10)21/h1,6-7,10H,4-5H2,2H3,(H,17,20,21).
What are the key properties of 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione?
3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione has a molecular weight of 285.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 176508930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).