(3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one

C19H18FN3O2 — CID 154341385

IUPAC(3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
SMILESCN1CCC[C@@](O)(C#Cc2cccc(-c3ncc(N)cc3F)c2)C1=O
InChIInChI=1S/C19H18FN3O2/c1-23-9-3-7-19(25,18(23)24)8-6-13-4-2-5-14(10-13)17-16(20)11-15(21)12-22-17/h2,4-5,10-12,25H,3,7,9,21H2,1H3/t19-/m1/s1
InChIKeyJJCQNZTVBPHQSN-LJQANCHMSA-N
MW339.37 g/mol
LogP1.80
Rot. Bonds1

About (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one

(3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one (PubChem CID 154341385) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
PubChem CID154341385
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
SMILESCN1CCC[C@@](O)(C#Cc2cccc(-c3ncc(N)cc3F)c2)C1=O
InChIInChI=1S/C19H18FN3O2/c1-23-9-3-7-19(25,18(23)24)8-6-13-4-2-5-14(10-13)17-16(20)11-15(21)12-22-17/h2,4-5,10-12,25H,3,7,9,21H2,1H3/t19-/m1/s1
InChIKeyJJCQNZTVBPHQSN-LJQANCHMSA-N
XLogP1.80
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-amino-5-fluoro-6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxylate
CID 123256368
(3S)-3-[2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
CID 171990582
(3R)-3-[2-[3-(4-amino-8-phenylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
CID 166766008
5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-propylpyridine-2-carboxamide
CID 158182426
3-[2-[3-(4-amino-6-chloro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 123350679
(3R)-3-hydroxy-1-methyl-3-[2-(3-methylphenyl)ethynyl]pyrrolidin-2-one
CID 130261652
(3R)-3-[2-[3-(1-aminoisoquinolin-7-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 155340543
3-[2-[3-(1-aminoisoquinolin-7-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 155340546
3-[2-[3-(4-aminopyrido[3,4-d]pyrimidin-6-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 155341075
ethyl 4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-methoxy-1,3-thiazole-2-carboxylate
CID 122508544
7-fluoro-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]quinazoline-4-carboxamide
CID 123676299
(3S)-3-[2-[3-(4-amino-2-methylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;sulfane
CID 159853137

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one?
The IUPAC name of (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one (CID 154341385) is (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one.
What is the SMILES notation for (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one?
The canonical SMILES for (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one is CN1CCC[C@@](O)(C#Cc2cccc(-c3ncc(N)cc3F)c2)C1=O.
What is the InChIKey of (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one?
The InChIKey is JJCQNZTVBPHQSN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23-9-3-7-19(25,18(23)24)8-6-13-4-2-5-14(10-13)17-16(20)11-15(21)12-22-17/h2,4-5,10-12,25H,3,7,9,21H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one?
(3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one has a molecular weight of 339.37 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[3-(5-amino-3-fluoro-2-pyridinyl)phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one is sourced from PubChem (CID 154341385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).