4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one

C18H17N5O — CID 155911763

IUPAC4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one
SMILESCn1ccnc1-c1ccc(-c2ccc(C3CNC(=O)C3)cc2)nn1
InChIInChI=1S/C18H17N5O/c1-23-9-8-19-18(23)16-7-6-15(21-22-16)13-4-2-12(3-5-13)14-10-17(24)20-11-14/h2-9,14H,10-11H2,1H3,(H,20,24)
InChIKeyIIJOUTDXASVTOD-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.15
Rot. Bonds3

About 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one

4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one (PubChem CID 155911763) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one
PubChem CID155911763
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one
SMILESCn1ccnc1-c1ccc(-c2ccc(C3CNC(=O)C3)cc2)nn1
InChIInChI=1S/C18H17N5O/c1-23-9-8-19-18(23)16-7-6-15(21-22-16)13-4-2-12(3-5-13)14-10-17(24)20-11-14/h2-9,14H,10-11H2,1H3,(H,20,24)
InChIKeyIIJOUTDXASVTOD-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one (CID 155911763) is 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one is Cn1ccnc1-c1ccc(-c2ccc(C3CNC(=O)C3)cc2)nn1.
What is the InChIKey of 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one?
The InChIKey is IIJOUTDXASVTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23-9-8-19-18(23)16-7-6-15(21-22-16)13-4-2-12(3-5-13)14-10-17(24)20-11-14/h2-9,14H,10-11H2,1H3,(H,20,24).
What are the key properties of 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one?
4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one has a molecular weight of 319.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155911763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).