tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate

C19H22N4O3 — CID 71521758

IUPACtert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate
SMILESCCc1nc2c(=O)n(Cc3cccnc3)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H22N4O3/c1-5-15-21-16-14(23(15)18(25)26-19(2,3)4)8-10-22(17(16)24)12-13-7-6-9-20-11-13/h6-11H,5,12H2,1-4H3
InChIKeyOWJSULBURCRUEP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate

tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate (PubChem CID 71521758) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate
PubChem CID71521758
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Nametert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate
SMILESCCc1nc2c(=O)n(Cc3cccnc3)ccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H22N4O3/c1-5-15-21-16-14(23(15)18(25)26-19(2,3)4)8-10-22(17(16)24)12-13-7-6-9-20-11-13/h6-11H,5,12H2,1-4H3
InChIKeyOWJSULBURCRUEP-UHFFFAOYSA-N
XLogP2.99
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-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 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate (CID 71521758) is tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate is CCc1nc2c(=O)n(Cc3cccnc3)ccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
The InChIKey is OWJSULBURCRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-5-15-21-16-14(23(15)18(25)26-19(2,3)4)8-10-22(17(16)24)12-13-7-6-9-20-11-13/h6-11H,5,12H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate?
tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate is sourced from PubChem (CID 71521758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).