2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine

C20H25N3O2S — CID 56683458

IUPAC2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
SMILESCCOCCOc1ccc(-c2cn3nc(SCC(C)C)ccc3n2)cc1
InChIInChI=1S/C20H25N3O2S/c1-4-24-11-12-25-17-7-5-16(6-8-17)18-13-23-19(21-18)9-10-20(22-23)26-14-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyPQTCEEGQDHTBJA-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.56
Rot. Bonds9

About 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine

2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine (PubChem CID 56683458) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
PubChem CID56683458
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
SMILESCCOCCOc1ccc(-c2cn3nc(SCC(C)C)ccc3n2)cc1
InChIInChI=1S/C20H25N3O2S/c1-4-24-11-12-25-17-7-5-16(6-8-17)18-13-23-19(21-18)9-10-20(22-23)26-14-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3
InChIKeyPQTCEEGQDHTBJA-UHFFFAOYSA-N
XLogP4.56
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine (CID 56683458) is 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine is CCOCCOc1ccc(-c2cn3nc(SCC(C)C)ccc3n2)cc1.
What is the InChIKey of 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
The InChIKey is PQTCEEGQDHTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-4-24-11-12-25-17-7-5-16(6-8-17)18-13-23-19(21-18)9-10-20(22-23)26-14-15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3.
What are the key properties of 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine has a molecular weight of 371.51 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethoxy)phenyl]-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 56683458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).