6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one

C14H11ClN4O2 — CID 154754924

IUPAC6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one
SMILESCC(=O)c1ccc(=O)n(Cc2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C14H11ClN4O2/c1-9(20)12-3-5-14(21)19(17-12)8-11-7-18-6-10(15)2-4-13(18)16-11/h2-7H,8H2,1H3
InChIKeyXBWZEKNBAUGOLI-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.80
Rot. Bonds3

About 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one

6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one (PubChem CID 154754924) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one
PubChem CID154754924
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one
SMILESCC(=O)c1ccc(=O)n(Cc2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C14H11ClN4O2/c1-9(20)12-3-5-14(21)19(17-12)8-11-7-18-6-10(15)2-4-13(18)16-11/h2-7H,8H2,1H3
InChIKeyXBWZEKNBAUGOLI-UHFFFAOYSA-N
XLogP1.80
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one (CID 154754924) is 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one is CC(=O)c1ccc(=O)n(Cc2cn3cc(Cl)ccc3n2)n1.
What is the InChIKey of 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one?
The InChIKey is XBWZEKNBAUGOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-9(20)12-3-5-14(21)19(17-12)8-11-7-18-6-10(15)2-4-13(18)16-11/h2-7H,8H2,1H3.
What are the key properties of 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one?
6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one has a molecular weight of 302.72 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 154754924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).