5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one

C16H15BrN4O — CID 155565010

IUPAC5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Br)cc2C12CCN(c1cccnn1)CC2
InChIInChI=1S/C16H15BrN4O/c17-11-3-4-13-12(10-11)16(15(22)19-13)5-8-21(9-6-16)14-2-1-7-18-20-14/h1-4,7,10H,5-6,8-9H2,(H,19,22)
InChIKeyZIWXLKGOUPGBGO-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.73
Rot. Bonds1

About 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one

5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 155565010) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID155565010
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Br)cc2C12CCN(c1cccnn1)CC2
InChIInChI=1S/C16H15BrN4O/c17-11-3-4-13-12(10-11)16(15(22)19-13)5-8-21(9-6-16)14-2-1-7-18-20-14/h1-4,7,10H,5-6,8-9H2,(H,19,22)
InChIKeyZIWXLKGOUPGBGO-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one (CID 155565010) is 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccc(Br)cc2C12CCN(c1cccnn1)CC2.
What is the InChIKey of 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is ZIWXLKGOUPGBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c17-11-3-4-13-12(10-11)16(15(22)19-13)5-8-21(9-6-16)14-2-1-7-18-20-14/h1-4,7,10H,5-6,8-9H2,(H,19,22).
What are the key properties of 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one?
5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 359.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1'-pyridazin-3-ylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 155565010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).