methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate

C13H9N3O3S — CID 70304680

IUPACmethyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(C(=O)c3cccs3)[nH]c12
InChIInChI=1S/C13H9N3O3S/c1-19-13(18)7-4-5-14-11-9(7)15-12(16-11)10(17)8-3-2-6-20-8/h2-6H,1H3,(H,14,15,16)
InChIKeyKOVFXYWOFMVLJJ-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate

methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate (PubChem CID 70304680) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
PubChem CID70304680
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Namemethyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2nc(C(=O)c3cccs3)[nH]c12
InChIInChI=1S/C13H9N3O3S/c1-19-13(18)7-4-5-14-11-9(7)15-12(16-11)10(17)8-3-2-6-20-8/h2-6H,1H3,(H,14,15,16)
InChIKeyKOVFXYWOFMVLJJ-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate 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

methyl 2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
CID 25179835
N-methyl-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 70810297
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802
methyl 2-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-7-carboxylate
CID 167870504
dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate
CID 135067685
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-thiophen-2-ylmethanone
CID 115512654
methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate
CID 130905624
thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone
CID 10587435
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
methyl 3-(methoxycarbonylamino)-4-(thiophene-2-carbonyl)benzoate
CID 23909478

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate (CID 70304680) is methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate is COC(=O)c1ccnc2nc(C(=O)c3cccs3)[nH]c12.
What is the InChIKey of methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
The InChIKey is KOVFXYWOFMVLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S/c1-19-13(18)7-4-5-14-11-9(7)15-12(16-11)10(17)8-3-2-6-20-8/h2-6H,1H3,(H,14,15,16).
What are the key properties of methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate?
methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate has a molecular weight of 287.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 70304680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).