[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone

C19H21FN2O3 — CID 100666286

IUPAC[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C19H21FN2O3/c1-12(2)25-16-7-8-17(21-10-16)19(24)22-11-15(23)9-18(22)13-3-5-14(20)6-4-13/h3-8,10,12,15,18,23H,9,11H2,1-2H3/t15-,18-/m1/s1
InChIKeyYSPSJNSIHQFHIT-CRAIPNDOSA-N
MW344.39 g/mol
LogP2.96
Rot. Bonds4

About [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone

[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 100666286) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID100666286
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C19H21FN2O3/c1-12(2)25-16-7-8-17(21-10-16)19(24)22-11-15(23)9-18(22)13-3-5-14(20)6-4-13/h3-8,10,12,15,18,23H,9,11H2,1-2H3/t15-,18-/m1/s1
InChIKeyYSPSJNSIHQFHIT-CRAIPNDOSA-N
XLogP2.96
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100671019
(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
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 129345913
[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
CID 100670956
3-(4-fluorophenoxy)-1-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 129352230
(5-ethyl-1H-pyrazol-3-yl)-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129346225
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 129352200
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 129345875
[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128989989
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 100670910
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone (CID 100666286) is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1.
What is the InChIKey of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is YSPSJNSIHQFHIT-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12(2)25-16-7-8-17(21-10-16)19(24)22-11-15(23)9-18(22)13-3-5-14(20)6-4-13/h3-8,10,12,15,18,23H,9,11H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone?
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 344.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 100666286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).