3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

C21H20N4O2 — CID 58857870

IUPAC3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H20N4O2/c1-26-17-7-3-15(4-8-17)13-22-20-11-12-21-23-14-19(25(21)24-20)16-5-9-18(27-2)10-6-16/h3-12,14H,13H2,1-2H3,(H,22,24)
InChIKeyBVOPJGSRWAWCJX-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.03
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857870) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857870
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H20N4O2/c1-26-17-7-3-15(4-8-17)13-22-20-11-12-21-23-14-19(25(21)24-20)16-5-9-18(27-2)10-6-16/h3-12,14H,13H2,1-2H3,(H,22,24)
InChIKeyBVOPJGSRWAWCJX-UHFFFAOYSA-N
XLogP4.03
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 58857870) is 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is COc1ccc(CNc2ccc3ncc(-c4ccc(OC)cc4)n3n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BVOPJGSRWAWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-17-7-3-15(4-8-17)13-22-20-11-12-21-23-14-19(25(21)24-20)16-5-9-18(27-2)10-6-16/h3-12,14H,13H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 360.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).