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

C18H17Cl2N3O2 — CID 162494374

IUPACethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1C(C)C
InChIInChI=1S/C18H17Cl2N3O2/c1-4-25-18(24)14-8-21-23-9-15(22-17(23)16(14)10(2)3)11-5-12(19)7-13(20)6-11/h5-10H,4H2,1-3H3
InChIKeyDXTKVDYZGHAHBF-UHFFFAOYSA-N
MW378.26 g/mol
LogP5.00
Rot. Bonds4

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

ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate (PubChem CID 162494374) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
PubChem CID162494374
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Nameethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1C(C)C
InChIInChI=1S/C18H17Cl2N3O2/c1-4-25-18(24)14-8-21-23-9-15(22-17(23)16(14)10(2)3)11-5-12(19)7-13(20)6-11/h5-10H,4H2,1-3H3
InChIKeyDXTKVDYZGHAHBF-UHFFFAOYSA-N
XLogP5.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate (CID 162494374) is ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1cnn2cc(-c3cc(Cl)cc(Cl)c3)nc2c1C(C)C.
What is the InChIKey of ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is DXTKVDYZGHAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-4-25-18(24)14-8-21-23-9-15(22-17(23)16(14)10(2)3)11-5-12(19)7-13(20)6-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate?
ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 378.26 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 162494374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).