4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol

C20H16Cl2N4O2 — CID 135900201

IUPAC4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)ccc1O
InChIInChI=1S/C20H16Cl2N4O2/c1-28-18-9-13(3-5-17(18)27)16-11-24-20-7-6-19(25-26(16)20)23-10-12-2-4-14(21)15(22)8-12/h2-9,11,27H,10H2,1H3,(H,23,25)
InChIKeyLIQTYZBALHBKHL-UHFFFAOYSA-N
MW415.28 g/mol
LogP5.03
Rot. Bonds5

About 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol

4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (PubChem CID 135900201) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
PubChem CID135900201
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC Name4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)ccc1O
InChIInChI=1S/C20H16Cl2N4O2/c1-28-18-9-13(3-5-17(18)27)16-11-24-20-7-6-19(25-26(16)20)23-10-12-2-4-14(21)15(22)8-12/h2-9,11,27H,10H2,1H3,(H,23,25)
InChIKeyLIQTYZBALHBKHL-UHFFFAOYSA-N
XLogP5.03
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900202
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475886
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 140905268
4-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120113
3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474359
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180
3-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126473754
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 66940761

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (CID 135900201) is 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is COc1cc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)ccc1O.
What is the InChIKey of 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The InChIKey is LIQTYZBALHBKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c1-28-18-9-13(3-5-17(18)27)16-11-24-20-7-6-19(25-26(16)20)23-10-12-2-4-14(21)15(22)8-12/h2-9,11,27H,10H2,1H3,(H,23,25).
What are the key properties of 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol has a molecular weight of 415.28 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is sourced from PubChem (CID 135900201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).