6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one

C16H15F2N3O3 — CID 128988420

IUPAC6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C16H15F2N3O3/c17-10-1-3-12(4-2-10)21-15(23)6-5-14(19-21)16(24)20-8-11(18)7-13(20)9-22/h1-6,11,13,22H,7-9H2/t11-,13-/m0/s1
InChIKeyVIUPYDIWZZSKJQ-AAEUAGOBSA-N
MW335.31 g/mol
LogP0.92
Rot. Bonds3

About 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one

6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one (PubChem CID 128988420) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
PubChem CID128988420
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC Name6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C16H15F2N3O3/c17-10-1-3-12(4-2-10)21-15(23)6-5-14(19-21)16(24)20-8-11(18)7-13(20)9-22/h1-6,11,13,22H,7-9H2/t11-,13-/m0/s1
InChIKeyVIUPYDIWZZSKJQ-AAEUAGOBSA-N
XLogP0.92
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one 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

2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 110888367
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
CID 128988278
6-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 124589320
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 128988563
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 56819222
6-[(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 100633675
6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 55633130
2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
CID 124574819
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146122143
2-(4-fluorophenyl)-6-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55630322
3-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]-1H-imidazol-2-one
CID 138045693
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128988324

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one (CID 128988420) is 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one is O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is VIUPYDIWZZSKJQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c17-10-1-3-12(4-2-10)21-15(23)6-5-14(19-21)16(24)20-8-11(18)7-13(20)9-22/h1-6,11,13,22H,7-9H2/t11-,13-/m0/s1.
What are the key properties of 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one?
6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 335.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 128988420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).