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

C16H15ClN4O — CID 155536718

IUPAC1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(c1ccc(Cl)nn1)CC2
InChIInChI=1S/C16H15ClN4O/c17-13-5-6-14(20-19-13)21-9-7-16(8-10-21)11-3-1-2-4-12(11)18-15(16)22/h1-6H,7-10H2,(H,18,22)
InChIKeyWFVXEYWCYFBQQS-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.62
Rot. Bonds1

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

1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 155536718) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID155536718
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(c1ccc(Cl)nn1)CC2
InChIInChI=1S/C16H15ClN4O/c17-13-5-6-14(20-19-13)21-9-7-16(8-10-21)11-3-1-2-4-12(11)18-15(16)22/h1-6H,7-10H2,(H,18,22)
InChIKeyWFVXEYWCYFBQQS-UHFFFAOYSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 155536718) is 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccccc2C12CCN(c1ccc(Cl)nn1)CC2.
What is the InChIKey of 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is WFVXEYWCYFBQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-13-5-6-14(20-19-13)21-9-7-16(8-10-21)11-3-1-2-4-12(11)18-15(16)22/h1-6H,7-10H2,(H,18,22).
What are the key properties of 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 314.78 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-chloropyridazin-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 155536718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).