methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

C14H17N3O2 — CID 117253065

IUPACmethyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2c(C)cccc12
InChIInChI=1S/C14H17N3O2/c1-9-5-3-7-11-12(14(18)19-2)16-13(17(9)11)10-6-4-8-15-10/h3,5,7,10,15H,4,6,8H2,1-2H3
InChIKeyZDDYEIWJIOEMCA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.85
Rot. Bonds2

About methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate

methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253065) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253065
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CCCN2)n2c(C)cccc12
InChIInChI=1S/C14H17N3O2/c1-9-5-3-7-11-12(14(18)19-2)16-13(17(9)11)10-6-4-8-15-10/h3,5,7,10,15H,4,6,8H2,1-2H3
InChIKeyZDDYEIWJIOEMCA-UHFFFAOYSA-N
XLogP1.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253063
methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253657
methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254222
methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252948
methyl 3-(azepan-3-yl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252914
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253362
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-amine
CID 117253057
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol
CID 117253049
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664
5-methyl-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252973
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117131974

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate (CID 117253065) is methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CCCN2)n2c(C)cccc12.
What is the InChIKey of methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is ZDDYEIWJIOEMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-5-3-7-11-12(14(18)19-2)16-13(17(9)11)10-6-4-8-15-10/h3,5,7,10,15H,4,6,8H2,1-2H3.
What are the key properties of methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate?
methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).