methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

C14H18N4O2 — CID 117252948

IUPACmethyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCCN2)n2c(N)cccc12
InChIInChI=1S/C14H18N4O2/c1-20-14(19)13-10-5-2-6-11(15)18(10)12(17-13)8-9-4-3-7-16-9/h2,5-6,9,16H,3-4,7-8,15H2,1H3
InChIKeyIRGLLTWPYNTMAM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.00
Rot. Bonds3

About methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117252948) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117252948
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCCN2)n2c(N)cccc12
InChIInChI=1S/C14H18N4O2/c1-20-14(19)13-10-5-2-6-11(15)18(10)12(17-13)8-9-4-3-7-16-9/h2,5-6,9,16H,3-4,7-8,15H2,1H3
InChIKeyIRGLLTWPYNTMAM-UHFFFAOYSA-N
XLogP1.00
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
5-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252949
5-methyl-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252973
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578
5-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252965
methyl 5-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253238
methyl 5-methyl-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253065
methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254732
methyl 5-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253063
methyl 2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132105
methyl 3-(piperidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147604
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117252948) is methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC2CCCN2)n2c(N)cccc12.
What is the InChIKey of methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is IRGLLTWPYNTMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-14(19)13-10-5-2-6-11(15)18(10)12(17-13)8-9-4-3-7-16-9/h2,5-6,9,16H,3-4,7-8,15H2,1H3.
What are the key properties of methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117252948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).