[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone

C17H17FN2O2 — CID 129352200

IUPAC[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-11-3-2-8-19-16(11)17(22)20-10-14(21)9-15(20)12-4-6-13(18)7-5-12/h2-8,14-15,21H,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyDXTOIIYLNUMWMF-LSDHHAIUSA-N
MW300.33 g/mol
LogP2.48
Rot. Bonds2

About [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone

[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 129352200) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID129352200
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-11-3-2-8-19-16(11)17(22)20-10-14(21)9-15(20)12-4-6-13(18)7-5-12/h2-8,14-15,21H,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyDXTOIIYLNUMWMF-LSDHHAIUSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-2-pyridinyl)-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 102554109
(2,6-dimethylpyrimidin-4-yl)-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129346647
(2,6-dimethylpyrimidin-4-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129346644
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100671425
(1,3-dimethylpyrazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100670652
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 100670910
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
5-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 100670755
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone
CID 100671948
(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100687469
(5-ethyl-1H-pyrazol-3-yl)-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129346225
1-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 129346531

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 129352200) is [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is DXTOIIYLNUMWMF-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-3-2-8-19-16(11)17(22)20-10-14(21)9-15(20)12-4-6-13(18)7-5-12/h2-8,14-15,21H,9-10H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 300.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 129352200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).