6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

C20H16FN7 — CID 145149133

IUPAC6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCN1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3n2)C1
InChIInChI=1S/C20H16FN7/c1-26-10-16(11-26)27-12-24-19(13-2-4-14(21)5-3-13)20(27)17-6-7-18-23-9-15(8-22)28(18)25-17/h2-7,9,12,16H,10-11H2,1H3
InChIKeyIJVQRAJSAZVQJO-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.76
Rot. Bonds3

About 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 145149133) has the molecular formula C20H16FN7 and a molecular weight of 373.40 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID145149133
Molecular FormulaC20H16FN7
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC Name6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESCN1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3n2)C1
InChIInChI=1S/C20H16FN7/c1-26-10-16(11-26)27-12-24-19(13-2-4-14(21)5-3-13)20(27)17-6-7-18-23-9-15(8-22)28(18)25-17/h2-7,9,12,16H,10-11H2,1H3
InChIKeyIJVQRAJSAZVQJO-UHFFFAOYSA-N
XLogP2.76
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-[5-(4-fluorophenyl)-3-[1-(methoxymethyl)azetidin-3-yl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 134492260
N-tert-butyl-3-[5-(3-cyanoimidazo[1,2-b]pyridazin-6-yl)-4-(4-fluorophenyl)imidazol-1-yl]azetidine-1-carboxamide
CID 122510879
6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510553
6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510433
6-[5-(4-fluorophenyl)-3-(1-formylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 145149041
6-[3-(2,2-difluoroethyl)-5-[3-(2-hydroxypropan-2-yl)phenyl]imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510505
6-[3-(3,3-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbaldehyde;methanamine
CID 145149134
6-[5-(3-chloro-4-fluorophenyl)-3-(1-methylcyclobutyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 146410081
2-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone
CID 158399483
6-[5-(3-cyanophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510729
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-b]pyridazine
CID 122510468

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 145149133) is 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is CN1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3ncc(C#N)n3n2)C1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is IJVQRAJSAZVQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7/c1-26-10-16(11-26)27-12-24-19(13-2-4-14(21)5-3-13)20(27)17-6-7-18-23-9-15(8-22)28(18)25-17/h2-7,9,12,16H,10-11H2,1H3.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 373.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 145149133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).