bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole

C21H18ClN7O5 — CID 158395836

IUPACbis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole
SMILESCCc1cnc2ccc(Cl)nn12.Cc1noc(C)c1-c1ccc2nccn2n1.O=C=O.O=C=O
InChIInChI=1S/C11H10N4O.C8H8ClN3.2CO2/c1-7-11(8(2)16-14-7)9-3-4-10-12-5-6-15(10)13-9;1-2-6-5-10-8-4-3-7(9)11-12(6)8;2*2-1-3/h3-6H,1-2H3;3-5H,2H2,1H3;;
InChIKeyGXNNOVHTXVUPSY-UHFFFAOYSA-N
MW483.87 g/mol
LogP2.78
Rot. Bonds2

About bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole

bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole (PubChem CID 158395836) has the molecular formula C21H18ClN7O5 and a molecular weight of 483.87 g/mol. Its IUPAC name is bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Namebis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole
PubChem CID158395836
Molecular FormulaC21H18ClN7O5
Molecular Weight483.87 g/mol
Exact Mass483.11
IUPAC Namebis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole
SMILESCCc1cnc2ccc(Cl)nn12.Cc1noc(C)c1-c1ccc2nccn2n1.O=C=O.O=C=O
InChIInChI=1S/C11H10N4O.C8H8ClN3.2CO2/c1-7-11(8(2)16-14-7)9-3-4-10-12-5-6-15(10)13-9;1-2-6-5-10-8-4-3-7(9)11-12(6)8;2*2-1-3/h3-6H,1-2H3;3-5H,2H2,1H3;;
InChIKeyGXNNOVHTXVUPSY-UHFFFAOYSA-N
XLogP2.78
TPSA154.69 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole (CID 158395836) is bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole is CCc1cnc2ccc(Cl)nn12.Cc1noc(C)c1-c1ccc2nccn2n1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole?
The InChIKey is GXNNOVHTXVUPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O.C8H8ClN3.2CO2/c1-7-11(8(2)16-14-7)9-3-4-10-12-5-6-15(10)13-9;1-2-6-5-10-8-4-3-7(9)11-12(6)8;2*2-1-3/h3-6H,1-2H3;3-5H,2H2,1H3;;.
What are the key properties of bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole?
bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole has a molecular weight of 483.87 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);6-chloro-3-ethylimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-yl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158395836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).