methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate

C9H9N3O2 — CID 105444746

IUPACmethyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(N)n2ccccc12
InChIInChI=1S/C9H9N3O2/c1-14-8(13)7-6-4-2-3-5-12(6)9(10)11-7/h2-5H,1H3,(H2,10,11)
InChIKeyJWQWLMFPHNBWFV-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.70
Rot. Bonds1

About methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 105444746) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID105444746
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(N)n2ccccc12
InChIInChI=1S/C9H9N3O2/c1-14-8(13)7-6-4-2-3-5-12(6)9(10)11-7/h2-5H,1H3,(H2,10,11)
InChIKeyJWQWLMFPHNBWFV-UHFFFAOYSA-N
XLogP0.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
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-aminoimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate (CID 105444746) is methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(N)n2ccccc12.
What is the InChIKey of methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is JWQWLMFPHNBWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-8(13)7-6-4-2-3-5-12(6)9(10)11-7/h2-5H,1H3,(H2,10,11).
What are the key properties of methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminoimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 105444746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).