ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate

C17H16ClN3O2 — CID 10735152

IUPACethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2cc(C)c(Cl)nn12
InChIInChI=1S/C17H16ClN3O2/c1-3-23-15(22)10-13-16(12-7-5-4-6-8-12)19-14-9-11(2)17(18)20-21(13)14/h4-9H,3,10H2,1-2H3
InChIKeyJUBZRYSFFXAUTH-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.46
Rot. Bonds4

About ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate

ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate (PubChem CID 10735152) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate
PubChem CID10735152
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Nameethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2cc(C)c(Cl)nn12
InChIInChI=1S/C17H16ClN3O2/c1-3-23-15(22)10-13-16(12-7-5-4-6-8-12)19-14-9-11(2)17(18)20-21(13)14/h4-9H,3,10H2,1-2H3
InChIKeyJUBZRYSFFXAUTH-UHFFFAOYSA-N
XLogP3.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate (CID 10735152) is ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate is CCOC(=O)Cc1c(-c2ccccc2)nc2cc(C)c(Cl)nn12.
What is the InChIKey of ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate?
The InChIKey is JUBZRYSFFXAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-23-15(22)10-13-16(12-7-5-4-6-8-12)19-14-9-11(2)17(18)20-21(13)14/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate?
ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate has a molecular weight of 329.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate is sourced from PubChem (CID 10735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).