3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

C33H20FN7O — CID 118538878

IUPAC3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESN#Cc1cccc(-c2cccc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)c1
InChIInChI=1S/C33H20FN7O/c34-26-12-10-22(11-13-26)31-32(40-16-2-1-9-29(40)38-31)27-14-15-30-36-28(20-41(30)39-27)37-33(42)25-8-4-7-24(18-25)23-6-3-5-21(17-23)19-35/h1-18,20H,(H,37,42)
InChIKeyLJPGEDGBSWWVFN-UHFFFAOYSA-N
MW549.57 g/mol
LogP6.64
Rot. Bonds5

About 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 118538878) has the molecular formula C33H20FN7O and a molecular weight of 549.57 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID118538878
Molecular FormulaC33H20FN7O
Molecular Weight549.57 g/mol
Exact Mass549.17
IUPAC Name3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESN#Cc1cccc(-c2cccc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)c1
InChIInChI=1S/C33H20FN7O/c34-26-12-10-22(11-13-26)31-32(40-16-2-1-9-29(40)38-31)27-14-15-30-36-28(20-41(30)39-27)37-33(42)25-8-4-7-24(18-25)23-6-3-5-21(17-23)19-35/h1-18,20H,(H,37,42)
InChIKeyLJPGEDGBSWWVFN-UHFFFAOYSA-N
XLogP6.64
TPSA100.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.57
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 118538878) is 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is N#Cc1cccc(-c2cccc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)c1.
What is the InChIKey of 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is LJPGEDGBSWWVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20FN7O/c34-26-12-10-22(11-13-26)31-32(40-16-2-1-9-29(40)38-31)27-14-15-30-36-28(20-41(30)39-27)37-33(42)25-8-4-7-24(18-25)23-6-3-5-21(17-23)19-35/h1-18,20H,(H,37,42).
What are the key properties of 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 549.57 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 118538878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).