[6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate

C18H18ClN3O2 — CID 145102788

IUPAC[6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate
SMILESCC(=O)OCc1nc2ccc(Cl)nn2c1Cc1cccc(C)c1C
InChIInChI=1S/C18H18ClN3O2/c1-11-5-4-6-14(12(11)2)9-16-15(10-24-13(3)23)20-18-8-7-17(19)21-22(16)18/h4-8H,9-10H2,1-3H3
InChIKeyCXJSIJAEAMVGSD-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.65
Rot. Bonds4

About [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate

[6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate (PubChem CID 145102788) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate.

Molecular Properties

Compound Name[6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate
PubChem CID145102788
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name[6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate
SMILESCC(=O)OCc1nc2ccc(Cl)nn2c1Cc1cccc(C)c1C
InChIInChI=1S/C18H18ClN3O2/c1-11-5-4-6-14(12(11)2)9-16-15(10-24-13(3)23)20-18-8-7-17(19)21-22(16)18/h4-8H,9-10H2,1-3H3
InChIKeyCXJSIJAEAMVGSD-UHFFFAOYSA-N
XLogP3.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate?
The IUPAC name of [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate (CID 145102788) is [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate.
What is the SMILES notation for [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate?
The canonical SMILES for [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate is CC(=O)OCc1nc2ccc(Cl)nn2c1Cc1cccc(C)c1C.
What is the InChIKey of [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate?
The InChIKey is CXJSIJAEAMVGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-5-4-6-14(12(11)2)9-16-15(10-24-13(3)23)20-18-8-7-17(19)21-22(16)18/h4-8H,9-10H2,1-3H3.
What are the key properties of [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate?
[6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate has a molecular weight of 343.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[(2,3-dimethylphenyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl acetate is sourced from PubChem (CID 145102788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).