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

C21H19FN4O2 — CID 44530401

IUPAC3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1OC
InChIInChI=1S/C21H19FN4O2/c1-27-18-8-5-15(11-19(18)28-2)17-13-24-21-10-9-20(25-26(17)21)23-12-14-3-6-16(22)7-4-14/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyUZDUYHGEABBBHY-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.16
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 44530401) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID44530401
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1OC
InChIInChI=1S/C21H19FN4O2/c1-27-18-8-5-15(11-19(18)28-2)17-13-24-21-10-9-20(25-26(17)21)23-12-14-3-6-16(22)7-4-14/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyUZDUYHGEABBBHY-UHFFFAOYSA-N
XLogP4.16
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 44530401) is 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is COc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is UZDUYHGEABBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-27-18-8-5-15(11-19(18)28-2)17-13-24-21-10-9-20(25-26(17)21)23-12-14-3-6-16(22)7-4-14/h3-11,13H,12H2,1-2H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 378.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 44530401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).