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

C20H17FN4O — CID 58857808

IUPAC[4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C20H17FN4O/c21-17-7-3-14(4-8-17)11-22-19-9-10-20-23-12-18(25(20)24-19)16-5-1-15(13-26)2-6-16/h1-10,12,26H,11,13H2,(H,22,24)
InChIKeyMXFOHEDQRSNTRZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.64
Rot. Bonds5

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

[4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 58857808) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID58857808
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name[4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C20H17FN4O/c21-17-7-3-14(4-8-17)11-22-19-9-10-20-23-12-18(25(20)24-19)16-5-1-15(13-26)2-6-16/h1-10,12,26H,11,13H2,(H,22,24)
InChIKeyMXFOHEDQRSNTRZ-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

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 58857808) is [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is OCc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1.
What is the InChIKey of [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is MXFOHEDQRSNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-17-7-3-14(4-8-17)11-22-19-9-10-20-23-12-18(25(20)24-19)16-5-1-15(13-26)2-6-16/h1-10,12,26H,11,13H2,(H,22,24).
What are the key properties of [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[4-[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 [4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 58857808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).