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

C20H14FN5 — CID 68545858

IUPAC4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)
InChIKeyYUDZZEAZLCNKOZ-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.02
Rot. Bonds4

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

4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 68545858) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID68545858
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)
InChIKeyYUDZZEAZLCNKOZ-UHFFFAOYSA-N
XLogP4.02
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 68545858) is 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1.
What is the InChIKey of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is YUDZZEAZLCNKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25).
What are the key properties of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 343.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 68545858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).