methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

C13H19N3O2 — CID 117248905

IUPACmethyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(cnc2C2CCNC2)C1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)9-3-5-16-11(6-9)8-15-12(16)10-2-4-14-7-10/h8-10,14H,2-7H2,1H3
InChIKeyYYNHONZNVLNNAN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.70
Rot. Bonds2

About methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117248905) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117248905
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(cnc2C2CCNC2)C1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)9-3-5-16-11(6-9)8-15-12(16)10-2-4-14-7-10/h8-10,14H,2-7H2,1H3
InChIKeyYYNHONZNVLNNAN-UHFFFAOYSA-N
XLogP0.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (CID 117248905) is methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is COC(=O)C1CCn2c(cnc2C2CCNC2)C1.
What is the InChIKey of methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is YYNHONZNVLNNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(17)9-3-5-16-11(6-9)8-15-12(16)10-2-4-14-7-10/h8-10,14H,2-7H2,1H3.
What are the key properties of methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117248905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).