6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one

C16H14BrClN4O — CID 155545280

IUPAC6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2cc(Br)ccc2C12CCN(c1ccc(Cl)nn1)CC2
InChIInChI=1S/C16H14BrClN4O/c17-10-1-2-11-12(9-10)19-15(23)16(11)5-7-22(8-6-16)14-4-3-13(18)20-21-14/h1-4,9H,5-8H2,(H,19,23)
InChIKeyJJBDJINPXOEABV-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.38
Rot. Bonds1

About 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one

6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 155545280) has the molecular formula C16H14BrClN4O and a molecular weight of 393.67 g/mol. Its IUPAC name is 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID155545280
Molecular FormulaC16H14BrClN4O
Molecular Weight393.67 g/mol
Exact Mass392.00
IUPAC Name6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2cc(Br)ccc2C12CCN(c1ccc(Cl)nn1)CC2
InChIInChI=1S/C16H14BrClN4O/c17-10-1-2-11-12(9-10)19-15(23)16(11)5-7-22(8-6-16)14-4-3-13(18)20-21-14/h1-4,9H,5-8H2,(H,19,23)
InChIKeyJJBDJINPXOEABV-UHFFFAOYSA-N
XLogP3.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 155545280) is 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2cc(Br)ccc2C12CCN(c1ccc(Cl)nn1)CC2.
What is the InChIKey of 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is JJBDJINPXOEABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4O/c17-10-1-2-11-12(9-10)19-15(23)16(11)5-7-22(8-6-16)14-4-3-13(18)20-21-14/h1-4,9H,5-8H2,(H,19,23).
What are the key properties of 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 393.67 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 155545280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).