(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one

C18H17FN6O — CID 162784521

IUPAC(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
SMILESO=C1[C@@H](Cc2ccc(F)nc2)CCCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C18H17FN6O/c19-15-4-3-12(11-21-15)10-14-2-1-9-25(17(14)26)18-22-16(23-24-18)13-5-7-20-8-6-13/h3-8,11,14H,1-2,9-10H2,(H,22,23,24)/t14-/m1/s1
InChIKeyBYBKCHFWMZWSCS-CQSZACIVSA-N
MW352.37 g/mol
LogP2.39
Rot. Bonds4

About (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one

(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one (PubChem CID 162784521) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
PubChem CID162784521
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
SMILESO=C1[C@@H](Cc2ccc(F)nc2)CCCN1c1n[nH]c(-c2ccncc2)n1
InChIInChI=1S/C18H17FN6O/c19-15-4-3-12(11-21-15)10-14-2-1-9-25(17(14)26)18-22-16(23-24-18)13-5-7-20-8-6-13/h3-8,11,14H,1-2,9-10H2,(H,22,23,24)/t14-/m1/s1
InChIKeyBYBKCHFWMZWSCS-CQSZACIVSA-N
XLogP2.39
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-[(4-chlorophenyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one
CID 162784483
3-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 162784417
(3R)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]piperidin-2-one
CID 162784343
(3S)-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[(6-fluoro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 162784395
(3S)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(6-pyridin-4-yl-3-pyridinyl)pyrrolidin-2-one
CID 177188686
3-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluoro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784501
(6S)-6-[(4-chlorophenyl)methyl]-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-1,4-diazepan-5-one
CID 175630837
(3S)-3-[(6-chloro-3-pyridinyl)methyl]-1-(4-chloro-5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784442
(3S)-3-[(3,4-difluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784547
3-[(4-chloro-3-fluorophenyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-2-one
CID 162784385
(3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)azepan-2-one
CID 162784532
2-fluoro-5-[[(3S)-2-oxo-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]methyl]benzonitrile
CID 162784475

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The IUPAC name of (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one (CID 162784521) is (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The canonical SMILES for (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one is O=C1[C@@H](Cc2ccc(F)nc2)CCCN1c1n[nH]c(-c2ccncc2)n1.
What is the InChIKey of (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
The InChIKey is BYBKCHFWMZWSCS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-15-4-3-12(11-21-15)10-14-2-1-9-25(17(14)26)18-22-16(23-24-18)13-5-7-20-8-6-13/h3-8,11,14H,1-2,9-10H2,(H,22,23,24)/t14-/m1/s1.
What are the key properties of (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one?
(3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one has a molecular weight of 352.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(6-fluoro-3-pyridinyl)methyl]-1-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-2-one is sourced from PubChem (CID 162784521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).