3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine

C11H9N3O — CID 83915992

IUPAC3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine
SMILESO=C=Nc1ccc2cnc(C3CC3)n2c1
InChIInChI=1S/C11H9N3O/c15-7-13-9-3-4-10-5-12-11(8-1-2-8)14(10)6-9/h3-6,8H,1-2H2
InChIKeyDQAHIEHCHKWHDR-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.18
Rot. Bonds2

About 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine

3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine (PubChem CID 83915992) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine
PubChem CID83915992
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine
SMILESO=C=Nc1ccc2cnc(C3CC3)n2c1
InChIInChI=1S/C11H9N3O/c15-7-13-9-3-4-10-5-12-11(8-1-2-8)14(10)6-9/h3-6,8H,1-2H2
InChIKeyDQAHIEHCHKWHDR-UHFFFAOYSA-N
XLogP2.18
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine?
The IUPAC name of 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine (CID 83915992) is 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine?
The canonical SMILES for 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine is O=C=Nc1ccc2cnc(C3CC3)n2c1.
What is the InChIKey of 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine?
The InChIKey is DQAHIEHCHKWHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-7-13-9-3-4-10-5-12-11(8-1-2-8)14(10)6-9/h3-6,8H,1-2H2.
What are the key properties of 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine?
3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine has a molecular weight of 199.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-isocyanatoimidazo[1,5-a]pyridine is sourced from PubChem (CID 83915992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).