3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine

C17H20FN3O — CID 125141976

IUPAC3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine
SMILESCOc1ccc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)nn1
InChIInChI=1S/C17H20FN3O/c1-12-8-9-21(11-15-6-7-16(22-2)20-19-15)17(12)13-4-3-5-14(18)10-13/h3-7,10,12,17H,8-9,11H2,1-2H3/t12-,17+/m1/s1
InChIKeyWLNCZSUDLGWCLQ-PXAZEXFGSA-N
MW301.37 g/mol
LogP3.21
Rot. Bonds4

About 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine

3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine (PubChem CID 125141976) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine
PubChem CID125141976
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine
SMILESCOc1ccc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)nn1
InChIInChI=1S/C17H20FN3O/c1-12-8-9-21(11-15-6-7-16(22-2)20-19-15)17(12)13-4-3-5-14(18)10-13/h3-7,10,12,17H,8-9,11H2,1-2H3/t12-,17+/m1/s1
InChIKeyWLNCZSUDLGWCLQ-PXAZEXFGSA-N
XLogP3.21
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine 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

3-[(2S,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]propanoic acid
CID 124694167
4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid
CID 124608405
1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 124886786
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141845
tert-butyl (3S)-2-(3-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 66684612
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(2R,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone
CID 124693173
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone
CID 124689082
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119808005
2-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-4-methylpyrimidine
CID 133341703
3,3-difluoro-1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 124740019
7-amino-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119807985
4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine
CID 133341659

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine?
The IUPAC name of 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine (CID 125141976) is 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine?
The canonical SMILES for 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine is COc1ccc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)nn1.
What is the InChIKey of 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine?
The InChIKey is WLNCZSUDLGWCLQ-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-8-9-21(11-15-6-7-16(22-2)20-19-15)17(12)13-4-3-5-14(18)10-13/h3-7,10,12,17H,8-9,11H2,1-2H3/t12-,17+/m1/s1.
What are the key properties of 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine?
3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine has a molecular weight of 301.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine is sourced from PubChem (CID 125141976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).