tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C12H19N3O2 — CID 57481585

IUPACtert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCn1cnc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-10-9(7-15)13-8-14(10)4/h8H,5-7H2,1-4H3
InChIKeyDUMAWKAQTHEMJF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.71
Rot. Bonds

About tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 57481585) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
PubChem CID57481585
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCn1cnc2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-10-9(7-15)13-8-14(10)4/h8H,5-7H2,1-4H3
InChIKeyDUMAWKAQTHEMJF-UHFFFAOYSA-N
XLogP1.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 57481585) is tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is Cn1cnc2c1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is DUMAWKAQTHEMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-10-9(7-15)13-8-14(10)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 57481585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).