[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

C18H21FN4O — CID 167932463

IUPAC[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESO=C(C1CCCc2ncnn21)N1CCC(Cc2ccccc2F)C1
InChIInChI=1S/C18H21FN4O/c19-15-5-2-1-4-14(15)10-13-8-9-22(11-13)18(24)16-6-3-7-17-20-12-21-23(16)17/h1-2,4-5,12-13,16H,3,6-11H2
InChIKeyXBAVOQSZBAXOIW-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.39
Rot. Bonds3

About [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone

[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (PubChem CID 167932463) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
PubChem CID167932463
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
SMILESO=C(C1CCCc2ncnn21)N1CCC(Cc2ccccc2F)C1
InChIInChI=1S/C18H21FN4O/c19-15-5-2-1-4-14(15)10-13-8-9-22(11-13)18(24)16-6-3-7-17-20-12-21-23(16)17/h1-2,4-5,12-13,16H,3,6-11H2
InChIKeyXBAVOQSZBAXOIW-UHFFFAOYSA-N
XLogP2.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone with MolForge

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Related Compounds

methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97201426
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120695987
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 120989635
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
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1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 63393016
1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one
CID 138034492
2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone (CID 167932463) is [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is O=C(C1CCCc2ncnn21)N1CCC(Cc2ccccc2F)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is XBAVOQSZBAXOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-5-2-1-4-14(15)10-13-8-9-22(11-13)18(24)16-6-3-7-17-20-12-21-23(16)17/h1-2,4-5,12-13,16H,3,6-11H2.
What are the key properties of [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone?
[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 328.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 167932463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).