[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate

C14H17N3O2 — CID 99794842

IUPAC[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESCN1CC[C@@H](COC(=O)c2ccn3cncc3c2)C1
InChIInChI=1S/C14H17N3O2/c1-16-4-2-11(8-16)9-19-14(18)12-3-5-17-10-15-7-13(17)6-12/h3,5-7,10-11H,2,4,8-9H2,1H3/t11-/m1/s1
InChIKeyNIPKBAPEWLFVTJ-LLVKDONJSA-N
MW259.31 g/mol
LogP1.44
Rot. Bonds3

About [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate

[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 99794842) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID99794842
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESCN1CC[C@@H](COC(=O)c2ccn3cncc3c2)C1
InChIInChI=1S/C14H17N3O2/c1-16-4-2-11(8-16)9-19-14(18)12-3-5-17-10-15-7-13(17)6-12/h3,5-7,10-11H,2,4,8-9H2,1H3/t11-/m1/s1
InChIKeyNIPKBAPEWLFVTJ-LLVKDONJSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate (CID 99794842) is [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate is CN1CC[C@@H](COC(=O)c2ccn3cncc3c2)C1.
What is the InChIKey of [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is NIPKBAPEWLFVTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-4-2-11(8-16)9-19-14(18)12-3-5-17-10-15-7-13(17)6-12/h3,5-7,10-11H,2,4,8-9H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate?
[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 99794842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).