methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate

C16H18FN3O3 — CID 154749622

IUPACmethyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)Cc2cn3cccc(C)c3n2)C1
InChIInChI=1S/C16H18FN3O3/c1-11-4-3-6-19-9-12(18-14(11)19)8-13(21)20-7-5-16(17,10-20)15(22)23-2/h3-4,6,9H,5,7-8,10H2,1-2H3
InChIKeyIUKROUWGNJEMDQ-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.30
Rot. Bonds3

About methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate

methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate (PubChem CID 154749622) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate
PubChem CID154749622
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Namemethyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)Cc2cn3cccc(C)c3n2)C1
InChIInChI=1S/C16H18FN3O3/c1-11-4-3-6-19-9-12(18-14(11)19)8-13(21)20-7-5-16(17,10-20)15(22)23-2/h3-4,6,9H,5,7-8,10H2,1-2H3
InChIKeyIUKROUWGNJEMDQ-UHFFFAOYSA-N
XLogP1.30
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate (CID 154749622) is methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate is COC(=O)C1(F)CCN(C(=O)Cc2cn3cccc(C)c3n2)C1.
What is the InChIKey of methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate?
The InChIKey is IUKROUWGNJEMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-11-4-3-6-19-9-12(18-14(11)19)8-13(21)20-7-5-16(17,10-20)15(22)23-2/h3-4,6,9H,5,7-8,10H2,1-2H3.
What are the key properties of methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate?
methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate has a molecular weight of 319.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 154749622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).