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

C21H20N4O — CID 137001350

IUPAC4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)c(C)c1
InChIInChI=1S/C21H20N4O/c1-14-3-4-17(15(2)11-14)12-22-20-9-10-21-23-13-19(25(21)24-20)16-5-7-18(26)8-6-16/h3-11,13,26H,12H2,1-2H3,(H,22,24)
InChIKeyQDUZBINIANXGCJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.33
Rot. Bonds4

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

4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 137001350) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID137001350
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)c(C)c1
InChIInChI=1S/C21H20N4O/c1-14-3-4-17(15(2)11-14)12-22-20-9-10-21-23-13-19(25(21)24-20)16-5-7-18(26)8-6-16/h3-11,13,26H,12H2,1-2H3,(H,22,24)
InChIKeyQDUZBINIANXGCJ-UHFFFAOYSA-N
XLogP4.33
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
N1-(3-mesityl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N2-(4-methoxyphenethyl)ethane-1,2-diamine
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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]phenol?
The IUPAC name of 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol (CID 137001350) is 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol is Cc1ccc(CNc2ccc3ncc(-c4ccc(O)cc4)n3n2)c(C)c1.
What is the InChIKey of 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is QDUZBINIANXGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-3-4-17(15(2)11-14)12-22-20-9-10-21-23-13-19(25(21)24-20)16-5-7-18(26)8-6-16/h3-11,13,26H,12H2,1-2H3,(H,22,24).
What are the key properties of 4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol?
4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]phenol is sourced from PubChem (CID 137001350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).