3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione

C19H22F2N4O2 — CID 166549772

IUPAC3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione
SMILESCCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3(F)F)cc21
InChIInChI=1S/C19H22F2N4O2/c1-2-25-15-9-11(14-7-8-22-10-19(14,20)21)3-4-12(15)17(24-25)13-5-6-16(26)23-18(13)27/h3-4,9,13-14,22H,2,5-8,10H2,1H3,(H,23,26,27)
InChIKeyYSADCWUQVQEQJL-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.29
Rot. Bonds3

About 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione

3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione (PubChem CID 166549772) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione
PubChem CID166549772
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione
SMILESCCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3(F)F)cc21
InChIInChI=1S/C19H22F2N4O2/c1-2-25-15-9-11(14-7-8-22-10-19(14,20)21)3-4-12(15)17(24-25)13-5-6-16(26)23-18(13)27/h3-4,9,13-14,22H,2,5-8,10H2,1H3,(H,23,26,27)
InChIKeyYSADCWUQVQEQJL-UHFFFAOYSA-N
XLogP2.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione (CID 166549772) is 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione is CCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3(F)F)cc21.
What is the InChIKey of 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is YSADCWUQVQEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-2-25-15-9-11(14-7-8-22-10-19(14,20)21)3-4-12(15)17(24-25)13-5-6-16(26)23-18(13)27/h3-4,9,13-14,22H,2,5-8,10H2,1H3,(H,23,26,27).
What are the key properties of 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione?
3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 376.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 166549772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).