(3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone

C14H16FN5O2 — CID 126853765

IUPAC(3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCOCc1cn(C2CCN(C(=O)c3ccncc3F)C2)nn1
InChIInChI=1S/C14H16FN5O2/c1-22-9-10-7-20(18-17-10)11-3-5-19(8-11)14(21)12-2-4-16-6-13(12)15/h2,4,6-7,11H,3,5,8-9H2,1H3
InChIKeySIBZURWNCJZBPL-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.05
Rot. Bonds4

About (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 126853765) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone
PubChem CID126853765
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name(3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCOCc1cn(C2CCN(C(=O)c3ccncc3F)C2)nn1
InChIInChI=1S/C14H16FN5O2/c1-22-9-10-7-20(18-17-10)11-3-5-19(8-11)14(21)12-2-4-16-6-13(12)15/h2,4,6-7,11H,3,5,8-9H2,1H3
InChIKeySIBZURWNCJZBPL-UHFFFAOYSA-N
XLogP1.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone 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 (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone (CID 126853765) is (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone is COCc1cn(C2CCN(C(=O)c3ccncc3F)C2)nn1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is SIBZURWNCJZBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-22-9-10-7-20(18-17-10)11-3-5-19(8-11)14(21)12-2-4-16-6-13(12)15/h2,4,6-7,11H,3,5,8-9H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 305.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[3-[4-(methoxymethyl)triazol-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126853765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).