3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid

C13H15FN4O2 — CID 141366775

IUPAC3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC[C@H]1c1nnc2ccc(F)cn12
InChIInChI=1S/C13H15FN4O2/c14-9-3-4-11-15-16-13(18(11)8-9)10-2-1-6-17(10)7-5-12(19)20/h3-4,8,10H,1-2,5-7H2,(H,19,20)/t10-/m0/s1
InChIKeyWEINSAPTEZLPHQ-JTQLQIEISA-N
MW278.29 g/mol
LogP1.48
Rot. Bonds4

About 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid

3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid (PubChem CID 141366775) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid
PubChem CID141366775
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC[C@H]1c1nnc2ccc(F)cn12
InChIInChI=1S/C13H15FN4O2/c14-9-3-4-11-15-16-13(18(11)8-9)10-2-1-6-17(10)7-5-12(19)20/h3-4,8,10H,1-2,5-7H2,(H,19,20)/t10-/m0/s1
InChIKeyWEINSAPTEZLPHQ-JTQLQIEISA-N
XLogP1.48
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane
CID 140795049
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139115
6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86687134
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139190
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105448678
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
6-fluoro-3-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86687144
N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide
CID 47012852
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
3-[2-(1,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]propanoic acid
CID 25248459

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid (CID 141366775) is 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid is O=C(O)CCN1CCC[C@H]1c1nnc2ccc(F)cn12.
What is the InChIKey of 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is WEINSAPTEZLPHQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15FN4O2/c14-9-3-4-11-15-16-13(18(11)8-9)10-2-1-6-17(10)7-5-12(19)20/h3-4,8,10H,1-2,5-7H2,(H,19,20)/t10-/m0/s1.
What are the key properties of 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid?
3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 278.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 141366775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).