6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride

C17H14ClFN4O — CID 86663106

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C17H14ClFN4O/c18-17(24)14-10-20-15-6-7-16(21-23(14)15)22-8-2-5-13(22)11-3-1-4-12(19)9-11/h1,3-4,6-7,9-10,13H,2,5,8H2/t13-/m1/s1
InChIKeyDGDPIUXZZVXENV-CYBMUJFWSA-N
MW344.78 g/mol
LogP3.59
Rot. Bonds3

About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride (PubChem CID 86663106) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
PubChem CID86663106
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C17H14ClFN4O/c18-17(24)14-10-20-15-6-7-16(21-23(14)15)22-8-2-5-13(22)11-3-1-4-12(19)9-11/h1,3-4,6-7,9-10,13H,2,5,8H2/t13-/m1/s1
InChIKeyDGDPIUXZZVXENV-CYBMUJFWSA-N
XLogP3.59
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride 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-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
3-(3-fluorophenyl)-1-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]prop-2-en-1-one
CID 66684657
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 56940863
N-(2,2-difluoroethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941155
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-b]pyridazine-3-carboxamide
CID 87106081
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 66684898
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 163760831
6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
CID 44520270
N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166720707
3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2,5-dihydropyrrole-1-carboxylic acid
CID 166784412
3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline
CID 58335793

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride (CID 86663106) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride is O=C(Cl)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride?
The InChIKey is DGDPIUXZZVXENV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-17(24)14-10-20-15-6-7-16(21-23(14)15)22-8-2-5-13(22)11-3-1-4-12(19)9-11/h1,3-4,6-7,9-10,13H,2,5,8H2/t13-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride has a molecular weight of 344.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride is sourced from PubChem (CID 86663106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).