propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate

C14H17N3O3 — CID 175841888

IUPACpropan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
SMILESCC(C)OC(=O)c1ccc2ncn(CC3CCO3)c2n1
InChIInChI=1S/C14H17N3O3/c1-9(2)20-14(18)12-4-3-11-13(16-12)17(8-15-11)7-10-5-6-19-10/h3-4,8-10H,5-7H2,1-2H3
InChIKeyLXLLQZIMNIPTEN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.79
Rot. Bonds4

About propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate

propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 175841888) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
PubChem CID175841888
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namepropan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate
SMILESCC(C)OC(=O)c1ccc2ncn(CC3CCO3)c2n1
InChIInChI=1S/C14H17N3O3/c1-9(2)20-14(18)12-4-3-11-13(16-12)17(8-15-11)7-10-5-6-19-10/h3-4,8-10H,5-7H2,1-2H3
InChIKeyLXLLQZIMNIPTEN-UHFFFAOYSA-N
XLogP1.79
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]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 propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate (CID 175841888) is propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate is CC(C)OC(=O)c1ccc2ncn(CC3CCO3)c2n1.
What is the InChIKey of propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is LXLLQZIMNIPTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)20-14(18)12-4-3-11-13(16-12)17(8-15-11)7-10-5-6-19-10/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate?
propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 175841888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).