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

C20H18FN5 — CID 126475815

IUPAC3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESNCc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C20H18FN5/c21-17-6-4-14(5-7-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-3-1-2-15(10-16)11-22/h1-10,13H,11-12,22H2,(H,23,25)
InChIKeyVWEQJSKRVZXCDW-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.61
Rot. Bonds5

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

3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475815) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID126475815
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESNCc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C20H18FN5/c21-17-6-4-14(5-7-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-3-1-2-15(10-16)11-22/h1-10,13H,11-12,22H2,(H,23,25)
InChIKeyVWEQJSKRVZXCDW-UHFFFAOYSA-N
XLogP3.61
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126475803
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857801
3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 126473439
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
3-(3-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470424
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475886
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 126475815) is 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is NCc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VWEQJSKRVZXCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c21-17-6-4-14(5-7-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-3-1-2-15(10-16)11-22/h1-10,13H,11-12,22H2,(H,23,25).
What are the key properties of 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 347.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).