methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate

C14H12N4O2S — CID 50907061

IUPACmethyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3ccccn3)cnc2c1N
InChIInChI=1S/C14H12N4O2S/c1-20-14(19)13-11(15)12-9(21-13)6-8(7-17-12)18-10-4-2-3-5-16-10/h2-7H,15H2,1H3,(H,16,18)
InChIKeyBPAFRLWKCBHBNL-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.80
Rot. Bonds3

About methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50907061) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50907061
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Namemethyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3ccccn3)cnc2c1N
InChIInChI=1S/C14H12N4O2S/c1-20-14(19)13-11(15)12-9(21-13)6-8(7-17-12)18-10-4-2-3-5-16-10/h2-7H,15H2,1H3,(H,16,18)
InChIKeyBPAFRLWKCBHBNL-UHFFFAOYSA-N
XLogP2.80
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-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 3-amino-6-(benzo[d]thiazol-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907058
Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate
CID 13793447
Methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905128
Methyl 3-amino-6-(2,4-dimethoxypyrimidin-5-yl)thieno[3,2-b]pyridine-2-carboxylate
CID 50908354
Methyl 3-amino-6-(3-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905129
Methyl 3-amino-6-(4-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905130
Methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907060
Methyl 3-amino-6-(pyridin-3-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907062
Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907063
Methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908126
Methyl 3-amino-6-(2-pyridin-2-ylethynyl)thieno[3,2-b]pyridine-2-carboxylate
CID 51031934
Methyl 3-amino-6-(2-pyridin-3-ylethynyl)thieno[3,2-b]pyridine-2-carboxylate
CID 51031935

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate (CID 50907061) is methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Nc3ccccn3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is BPAFRLWKCBHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-14(19)13-11(15)12-9(21-13)6-8(7-17-12)18-10-4-2-3-5-16-10/h2-7H,15H2,1H3,(H,16,18).
What are the key properties of methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50907061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).