ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate

C19H18Cl2N4O3 — CID 162494414

IUPACethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1
InChIInChI=1S/C19H18Cl2N4O3/c1-2-28-19(26)15-10-23-25-16(12-7-13(20)9-14(21)8-12)11-22-18(25)17(15)24-3-5-27-6-4-24/h7-11H,2-6H2,1H3
InChIKeyJXZDZTIFZCPQBF-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.72
Rot. Bonds4

About ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate

ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494414) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494414
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC Nameethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1
InChIInChI=1S/C19H18Cl2N4O3/c1-2-28-19(26)15-10-23-25-16(12-7-13(20)9-14(21)8-12)11-22-18(25)17(15)24-3-5-27-6-4-24/h7-11H,2-6H2,1H3
InChIKeyJXZDZTIFZCPQBF-UHFFFAOYSA-N
XLogP3.72
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate (CID 162494414) is ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1.
What is the InChIKey of ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is JXZDZTIFZCPQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3/c1-2-28-19(26)15-10-23-25-16(12-7-13(20)9-14(21)8-12)11-22-18(25)17(15)24-3-5-27-6-4-24/h7-11H,2-6H2,1H3.
What are the key properties of ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 421.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).