3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine

C21H19ClN4O2 — CID 86648174

IUPAC3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCCOc1ccc(-c2ccc3nc(C)c(-c4ccc(Cl)nc4)n3n2)cc1OC
InChIInChI=1S/C21H19ClN4O2/c1-4-28-17-8-5-14(11-18(17)27-3)16-7-10-20-24-13(2)21(26(20)25-16)15-6-9-19(22)23-12-15/h5-12H,4H2,1-3H3
InChIKeyJIBPMAJYFDIDIY-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.83
Rot. Bonds5

About 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine

3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine (PubChem CID 86648174) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
PubChem CID86648174
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCCOc1ccc(-c2ccc3nc(C)c(-c4ccc(Cl)nc4)n3n2)cc1OC
InChIInChI=1S/C21H19ClN4O2/c1-4-28-17-8-5-14(11-18(17)27-3)16-7-10-20-24-13(2)21(26(20)25-16)15-6-9-19(22)23-12-15/h5-12H,4H2,1-3H3
InChIKeyJIBPMAJYFDIDIY-UHFFFAOYSA-N
XLogP4.83
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
CID 141201904
5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 25121787
3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 24946965
6-(3,4-dimethoxyphenyl)-2-methyl-3-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 24947899
3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 24947525
2-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]acetonitrile
CID 24946100
tert-butyl N-[3-[4-[3-(4-ethylsulfonylphenyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]propyl]carbamate
CID 24948655
5-[6-(3-methoxy-4-piperidin-4-yloxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 59606628
1-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 68671543
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine
CID 159213086
2-[2-methoxy-4-[3-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]ethanamine
CID 91503088

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine (CID 86648174) is 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine is CCOc1ccc(-c2ccc3nc(C)c(-c4ccc(Cl)nc4)n3n2)cc1OC.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is JIBPMAJYFDIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-4-28-17-8-5-14(11-18(17)27-3)16-7-10-20-24-13(2)21(26(20)25-16)15-6-9-19(22)23-12-15/h5-12H,4H2,1-3H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 394.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-6-(4-ethoxy-3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 86648174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).