[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

C20H17FN4O — CID 126475803

IUPAC[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2ccc(NCc3ccc(F)cc3)nn12
InChIInChI=1S/C20H17FN4O/c21-16-7-5-14(6-8-16)11-22-19-9-10-20-23-12-18(25(20)24-19)17-4-2-1-3-15(17)13-26/h1-10,12,26H,11,13H2,(H,22,24)
InChIKeyAILLLBCNXWGFCS-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.64
Rot. Bonds5

About [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 126475803) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID126475803
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2ccc(NCc3ccc(F)cc3)nn12
InChIInChI=1S/C20H17FN4O/c21-16-7-5-14(6-8-16)11-22-19-9-10-20-23-12-18(25(20)24-19)17-4-2-1-3-15(17)13-26/h1-10,12,26H,11,13H2,(H,22,24)
InChIKeyAILLLBCNXWGFCS-UHFFFAOYSA-N
XLogP3.64
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815
2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 126473469
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857801
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
[4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 58857573
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
CID 126470569
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 66940874
3-(4-fluorophenyl)-N-phenylimidazo[1,2-b]pyridazin-6-amine
CID 66890110
N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126471713
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
CID 90388471

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 126475803) is [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is OCc1ccccc1-c1cnc2ccc(NCc3ccc(F)cc3)nn12.
What is the InChIKey of [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is AILLLBCNXWGFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-7-5-14(6-8-16)11-22-19-9-10-20-23-12-18(25(20)24-19)17-4-2-1-3-15(17)13-26/h1-10,12,26H,11,13H2,(H,22,24).
What are the key properties of [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol has a molecular weight of 348.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 126475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).