3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine

C21H17N3O2 — CID 71768283

IUPAC3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine
SMILESCc1cccc(Cc2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1
InChIInChI=1S/C21H17N3O2/c1-14-3-2-4-15(9-14)10-17-6-8-21-22-12-18(24(21)23-17)16-5-7-19-20(11-16)26-13-25-19/h2-9,11-12H,10,13H2,1H3
InChIKeyOAXDMGMSHTZXDK-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.02
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine

3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine (PubChem CID 71768283) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine
PubChem CID71768283
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine
SMILESCc1cccc(Cc2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1
InChIInChI=1S/C21H17N3O2/c1-14-3-2-4-15(9-14)10-17-6-8-21-22-12-18(24(21)23-17)16-5-7-19-20(11-16)26-13-25-19/h2-9,11-12H,10,13H2,1H3
InChIKeyOAXDMGMSHTZXDK-UHFFFAOYSA-N
XLogP4.02
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine (CID 71768283) is 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine is Cc1cccc(Cc2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine?
The InChIKey is OAXDMGMSHTZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-3-2-4-15(9-14)10-17-6-8-21-22-12-18(24(21)23-17)16-5-7-19-20(11-16)26-13-25-19/h2-9,11-12H,10,13H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine?
3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine has a molecular weight of 343.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 71768283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).