1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one

C17H15ClN4O — CID 15952658

IUPAC1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C17H15ClN4O/c18-15-6-7-16-19-9-14(22(16)20-15)11-21-10-13(8-17(21)23)12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2
InChIKeyOIROQURGSQOQFW-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.90
Rot. Bonds3

About 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one

1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one (PubChem CID 15952658) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one
PubChem CID15952658
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C17H15ClN4O/c18-15-6-7-16-19-9-14(22(16)20-15)11-21-10-13(8-17(21)23)12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2
InChIKeyOIROQURGSQOQFW-UHFFFAOYSA-N
XLogP2.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one (CID 15952658) is 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one is O=C1CC(c2ccccc2)CN1Cc1cnc2ccc(Cl)nn12.
What is the InChIKey of 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is OIROQURGSQOQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-15-6-7-16-19-9-14(22(16)20-15)11-21-10-13(8-17(21)23)12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2.
What are the key properties of 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one?
1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 326.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 15952658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).