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

C23H18FN5 — CID 44520611

IUPAC4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2
InChIKeyNNDVLAPMFXYAAS-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.75
Rot. Bonds3

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

4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 44520611) has the molecular formula C23H18FN5 and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID44520611
Molecular FormulaC23H18FN5
Molecular Weight383.43 g/mol
Exact Mass383.15
IUPAC Name4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2
InChIKeyNNDVLAPMFXYAAS-UHFFFAOYSA-N
XLogP4.75
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 44520611) is 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cc1.
What is the InChIKey of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is NNDVLAPMFXYAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2.
What are the key properties of 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 383.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 44520611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).