(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone

C18H19FN2O3 — CID 167964755

IUPAC(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccnc(C(=O)N2CCC(O)(c3ccc(C)cc3)C2)c1F
InChIInChI=1S/C18H19FN2O3/c1-12-3-5-13(6-4-12)18(23)8-10-21(11-18)17(22)16-15(19)14(24-2)7-9-20-16/h3-7,9,23H,8,10-11H2,1-2H3
InChIKeyGWHMUIUJRSRXBV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.27
Rot. Bonds3

About (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone

(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 167964755) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID167964755
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccnc(C(=O)N2CCC(O)(c3ccc(C)cc3)C2)c1F
InChIInChI=1S/C18H19FN2O3/c1-12-3-5-13(6-4-12)18(23)8-10-21(11-18)17(22)16-15(19)14(24-2)7-9-20-16/h3-7,9,23H,8,10-11H2,1-2H3
InChIKeyGWHMUIUJRSRXBV-UHFFFAOYSA-N
XLogP2.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
CID 46974434
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46974573
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
[(3S)-3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 92626111
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[1-(4-hydroxyphenyl)cyclopropyl]methanone
CID 166280981
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone
CID 46977364
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 167964755) is (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone is COc1ccnc(C(=O)N2CCC(O)(c3ccc(C)cc3)C2)c1F.
What is the InChIKey of (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GWHMUIUJRSRXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-3-5-13(6-4-12)18(23)8-10-21(11-18)17(22)16-15(19)14(24-2)7-9-20-16/h3-7,9,23H,8,10-11H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167964755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).