4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile

C24H19N5O2 — CID 71744719

IUPAC4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2
InChIKeyCARBAQLLNJEQRM-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.41
Rot. Bonds3

About 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 71744719) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID71744719
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2
InChIKeyCARBAQLLNJEQRM-UHFFFAOYSA-N
XLogP3.41
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 71744719) is 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1.
What is the InChIKey of 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is CARBAQLLNJEQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c25-15-17-1-3-19(4-2-17)22-16-26-23-10-9-21(27-29(22)23)18-5-7-20(8-6-18)24(30)28-11-13-31-14-12-28/h1-10,16H,11-14H2.
What are the key properties of 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 409.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 71744719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).