methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

C14H17N3O2 — CID 117256875

IUPACmethyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CN3CCCC3)cnc12
InChIInChI=1S/C14H17N3O2/c1-19-14(18)12-5-4-8-17-11(9-15-13(12)17)10-16-6-2-3-7-16/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyUVPBOJDUBOSOGW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.72
Rot. Bonds3

About methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117256875) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117256875
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CN3CCCC3)cnc12
InChIInChI=1S/C14H17N3O2/c1-19-14(18)12-5-4-8-17-11(9-15-13(12)17)10-16-6-2-3-7-16/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyUVPBOJDUBOSOGW-UHFFFAOYSA-N
XLogP1.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256877
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256876
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872
methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256887
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926
methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 136530911

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 117256875) is methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(CN3CCCC3)cnc12.
What is the InChIKey of methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is UVPBOJDUBOSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-14(18)12-5-4-8-17-11(9-15-13(12)17)10-16-6-2-3-7-16/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117256875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).