(3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid

C15H17FN6O4 — CID 118167688

IUPAC(3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid
SMILESCn1cc(-c2cnc(O[C@@H]3CCN(C(=O)O)C[C@@H]3F)c(C(N)=O)c2)nn1
InChIInChI=1S/C15H17FN6O4/c1-21-7-11(19-20-21)8-4-9(13(17)23)14(18-5-8)26-12-2-3-22(15(24)25)6-10(12)16/h4-5,7,10,12H,2-3,6H2,1H3,(H2,17,23)(H,24,25)/t10-,12+/m0/s1
InChIKeyLVNWRGALBKTKDB-CMPLNLGQSA-N
MW364.34 g/mol
LogP0.45
Rot. Bonds4

About (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid

(3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid (PubChem CID 118167688) has the molecular formula C15H17FN6O4 and a molecular weight of 364.34 g/mol. Its IUPAC name is (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid
PubChem CID118167688
Molecular FormulaC15H17FN6O4
Molecular Weight364.34 g/mol
Exact Mass364.13
IUPAC Name(3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid
SMILESCn1cc(-c2cnc(O[C@@H]3CCN(C(=O)O)C[C@@H]3F)c(C(N)=O)c2)nn1
InChIInChI=1S/C15H17FN6O4/c1-21-7-11(19-20-21)8-4-9(13(17)23)14(18-5-8)26-12-2-3-22(15(24)25)6-10(12)16/h4-5,7,10,12H,2-3,6H2,1H3,(H2,17,23)(H,24,25)/t10-,12+/m0/s1
InChIKeyLVNWRGALBKTKDB-CMPLNLGQSA-N
XLogP0.45
TPSA136.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid (CID 118167688) is (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid is Cn1cc(-c2cnc(O[C@@H]3CCN(C(=O)O)C[C@@H]3F)c(C(N)=O)c2)nn1.
What is the InChIKey of (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is LVNWRGALBKTKDB-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H17FN6O4/c1-21-7-11(19-20-21)8-4-9(13(17)23)14(18-5-8)26-12-2-3-22(15(24)25)6-10(12)16/h4-5,7,10,12H,2-3,6H2,1H3,(H2,17,23)(H,24,25)/t10-,12+/m0/s1.
What are the key properties of (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid?
(3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 364.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[3-carbamoyl-5-(1-methyltriazol-4-yl)-2-pyridinyl]oxy]-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 118167688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).