6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine

C19H21N3O3 — CID 11221464

IUPAC6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2cn3nc(OCC4CC4)ccc3n2)cc1
InChIInChI=1S/C19H21N3O3/c1-23-10-11-24-16-6-4-15(5-7-16)17-12-22-18(20-17)8-9-19(21-22)25-13-14-2-3-14/h4-9,12,14H,2-3,10-11,13H2,1H3
InChIKeyMYYUYHRXRKLQCI-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.21
Rot. Bonds8

About 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine

6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 11221464) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID11221464
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2cn3nc(OCC4CC4)ccc3n2)cc1
InChIInChI=1S/C19H21N3O3/c1-23-10-11-24-16-6-4-15(5-7-16)17-12-22-18(20-17)8-9-19(21-22)25-13-14-2-3-14/h4-9,12,14H,2-3,10-11,13H2,1H3
InChIKeyMYYUYHRXRKLQCI-UHFFFAOYSA-N
XLogP3.21
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.21
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 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 11221464) is 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine is COCCOc1ccc(-c2cn3nc(OCC4CC4)ccc3n2)cc1.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is MYYUYHRXRKLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-23-10-11-24-16-6-4-15(5-7-16)17-12-22-18(20-17)8-9-19(21-22)25-13-14-2-3-14/h4-9,12,14H,2-3,10-11,13H2,1H3.
What are the key properties of 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 339.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11221464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).