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

C22H22N4O2 — CID 135900202

IUPAC4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(NCc4ccc(C)cc4C)nn23)ccc1O
InChIInChI=1S/C22H22N4O2/c1-14-4-5-17(15(2)10-14)12-23-21-8-9-22-24-13-18(26(22)25-21)16-6-7-19(27)20(11-16)28-3/h4-11,13,27H,12H2,1-3H3,(H,23,25)
InChIKeyRHOHRUFMSMBKCM-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.34
Rot. Bonds5

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

4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (PubChem CID 135900202) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
PubChem CID135900202
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc3ccc(NCc4ccc(C)cc4C)nn23)ccc1O
InChIInChI=1S/C22H22N4O2/c1-14-4-5-17(15(2)10-14)12-23-21-8-9-22-24-13-18(26(22)25-21)16-6-7-19(27)20(11-16)28-3/h4-11,13,27H,12H2,1-3H3,(H,23,25)
InChIKeyRHOHRUFMSMBKCM-UHFFFAOYSA-N
XLogP4.34
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The IUPAC name of 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol (CID 135900202) is 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The canonical SMILES for 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is COc1cc(-c2cnc3ccc(NCc4ccc(C)cc4C)nn23)ccc1O.
What is the InChIKey of 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
The InChIKey is RHOHRUFMSMBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-4-5-17(15(2)10-14)12-23-21-8-9-22-24-13-18(26(22)25-21)16-6-7-19(27)20(11-16)28-3/h4-11,13,27H,12H2,1-3H3,(H,23,25).
What are the key properties of 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol?
4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol has a molecular weight of 374.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol is sourced from PubChem (CID 135900202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).