3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

C18H18BrFN4 — CID 86915583

IUPAC3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(CN2CCC(c3nnc4ccccn34)CC2)c(Br)c1
InChIInChI=1S/C18H18BrFN4/c19-16-11-15(20)5-4-14(16)12-23-9-6-13(7-10-23)18-22-21-17-3-1-2-8-24(17)18/h1-5,8,11,13H,6-7,9-10,12H2
InChIKeyUPRKJYRQJPTFFV-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.01
Rot. Bonds3

About 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86915583) has the molecular formula C18H18BrFN4 and a molecular weight of 389.27 g/mol. Its IUPAC name is 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86915583
Molecular FormulaC18H18BrFN4
Molecular Weight389.27 g/mol
Exact Mass388.07
IUPAC Name3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(CN2CCC(c3nnc4ccccn34)CC2)c(Br)c1
InChIInChI=1S/C18H18BrFN4/c19-16-11-15(20)5-4-14(16)12-23-9-6-13(7-10-23)18-22-21-17-3-1-2-8-24(17)18/h1-5,8,11,13H,6-7,9-10,12H2
InChIKeyUPRKJYRQJPTFFV-UHFFFAOYSA-N
XLogP4.01
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 63458175
(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 95623551
[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86909036
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
7-ethyl-4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
CID 86908994
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
3-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 78818247
3-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86909004
5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile
CID 86911616
3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
CID 126782854

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 86915583) is 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc(CN2CCC(c3nnc4ccccn34)CC2)c(Br)c1.
What is the InChIKey of 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UPRKJYRQJPTFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN4/c19-16-11-15(20)5-4-14(16)12-23-9-6-13(7-10-23)18-22-21-17-3-1-2-8-24(17)18/h1-5,8,11,13H,6-7,9-10,12H2.
What are the key properties of 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 389.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86915583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).