methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate

C11H13N3O — CID 112757360

IUPACmethyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate
SMILES[H]/N=C(\OC)c1nc(CC)n2ccccc12
InChIInChI=1S/C11H13N3O/c1-3-9-13-10(11(12)15-2)8-6-4-5-7-14(8)9/h4-7,12H,3H2,1-2H3/b12-11-
InChIKeyQNHHDXPTFFXNKK-QXMHVHEDSA-N
MW203.25 g/mol
LogP1.87
Rot. Bonds2

About methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate

methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate (PubChem CID 112757360) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate.

Molecular Properties

Compound Namemethyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate
PubChem CID112757360
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Namemethyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate
SMILES[H]/N=C(\OC)c1nc(CC)n2ccccc12
InChIInChI=1S/C11H13N3O/c1-3-9-13-10(11(12)15-2)8-6-4-5-7-14(8)9/h4-7,12H,3H2,1-2H3/b12-11-
InChIKeyQNHHDXPTFFXNKK-QXMHVHEDSA-N
XLogP1.87
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
3-ethyl-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674606
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
3-ethyl-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674625
methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
3-ethyl-1-propan-2-ylimidazo[1,5-a]pyridine
CID 171543739
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
2-(3-ethylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797830
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
1-(3-ethylimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83865003
[4-(3-ethylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110674677
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate?
The IUPAC name of methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate (CID 112757360) is methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate.
What is the SMILES notation for methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate?
The canonical SMILES for methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate is [H]/N=C(\OC)c1nc(CC)n2ccccc12.
What is the InChIKey of methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate?
The InChIKey is QNHHDXPTFFXNKK-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-9-13-10(11(12)15-2)8-6-4-5-7-14(8)9/h4-7,12H,3H2,1-2H3/b12-11-.
What are the key properties of methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate?
methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate has a molecular weight of 203.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylimidazo[1,5-a]pyridine-1-carboximidate is sourced from PubChem (CID 112757360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).