methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate

C15H19N3O2 — CID 117147437

IUPACmethyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CC3CCN(C)C3)ncc12
InChIInChI=1S/C15H19N3O2/c1-17-7-5-11(10-17)8-14-16-9-13-12(15(19)20-2)4-3-6-18(13)14/h3-4,6,9,11H,5,7-8,10H2,1-2H3
InChIKeyHKGLAFYLJQJEOM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.62
Rot. Bonds3

About methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate

methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117147437) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117147437
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CC3CCN(C)C3)ncc12
InChIInChI=1S/C15H19N3O2/c1-17-7-5-11(10-17)8-14-16-9-13-12(15(19)20-2)4-3-6-18(13)14/h3-4,6,9,11H,5,7-8,10H2,1-2H3
InChIKeyHKGLAFYLJQJEOM-UHFFFAOYSA-N
XLogP1.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate (CID 117147437) is methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(CC3CCN(C)C3)ncc12.
What is the InChIKey of methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is HKGLAFYLJQJEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-7-5-11(10-17)8-14-16-9-13-12(15(19)20-2)4-3-6-18(13)14/h3-4,6,9,11H,5,7-8,10H2,1-2H3.
What are the key properties of methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate?
methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).