methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate

C14H17N3O2 — CID 62025948

IUPACmethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)12-5-4-8-16(12)9-11-10-17-7-3-2-6-13(17)15-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyDLFNBBTUYFZUKP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds3

About methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate

methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 62025948) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID62025948
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)12-5-4-8-16(12)9-11-10-17-7-3-2-6-13(17)15-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyDLFNBBTUYFZUKP-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylate
CID 78915575
(2S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 95173777
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
lithium (2S)-1-[[6-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 102447858
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 63382595
methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 167871381
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62580932
2,2,2-trifluoro-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]ethanol
CID 75370687
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 53171810
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572

Frequently Asked Questions

What is the IUPAC name of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (CID 62025948) is methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1cn2ccccc2n1.
What is the InChIKey of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is DLFNBBTUYFZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-14(18)12-5-4-8-16(12)9-11-10-17-7-3-2-6-13(17)15-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3.
What are the key properties of methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62025948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).