3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione

C13H12BrN3O2 — CID 164596403

IUPAC3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
SMILESCc1nn(C2CCC(=O)NC2=O)c2cccc(Br)c12
InChIInChI=1S/C13H12BrN3O2/c1-7-12-8(14)3-2-4-9(12)17(16-7)10-5-6-11(18)15-13(10)19/h2-4,10H,5-6H2,1H3,(H,15,18,19)
InChIKeyZLUVATRLNAPIMZ-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.08
Rot. Bonds1

About 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione

3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione (PubChem CID 164596403) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
PubChem CID164596403
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
SMILESCc1nn(C2CCC(=O)NC2=O)c2cccc(Br)c12
InChIInChI=1S/C13H12BrN3O2/c1-7-12-8(14)3-2-4-9(12)17(16-7)10-5-6-11(18)15-13(10)19/h2-4,10H,5-6H2,1H3,(H,15,18,19)
InChIKeyZLUVATRLNAPIMZ-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.08
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-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione
CID 176931807
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione
CID 164596399
3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175469479
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
3-[4-methyl-3-(3-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]piperidine-2,6-dione
CID 135273161
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)piperidine-2,6-dione
CID 142409714
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione (CID 164596403) is 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione is Cc1nn(C2CCC(=O)NC2=O)c2cccc(Br)c12.
What is the InChIKey of 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione?
The InChIKey is ZLUVATRLNAPIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7-12-8(14)3-2-4-9(12)17(16-7)10-5-6-11(18)15-13(10)19/h2-4,10H,5-6H2,1H3,(H,15,18,19).
What are the key properties of 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione?
3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione has a molecular weight of 322.16 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 164596403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).