methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate

C18H13N3O2S — CID 50908357

IUPACmethyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cncc4ccccc34)cnc2c1N
InChIInChI=1S/C18H13N3O2S/c1-23-18(22)17-15(19)16-14(24-17)6-11(8-21-16)13-9-20-7-10-4-2-3-5-12(10)13/h2-9H,19H2,1H3
InChIKeyHQEDXESEVWQZCW-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.88
Rot. Bonds2

About methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50908357) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate
PubChem CID50908357
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Namemethyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cncc4ccccc34)cnc2c1N
InChIInChI=1S/C18H13N3O2S/c1-23-18(22)17-15(19)16-14(24-17)6-11(8-21-16)13-9-20-7-10-4-2-3-5-12(10)13/h2-9H,19H2,1H3
InChIKeyHQEDXESEVWQZCW-UHFFFAOYSA-N
XLogP3.88
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate with MolForge

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Related Compounds

Methyl 3-amino-6-[2-(4-methoxyphenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994345
Methyl 3-(3-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 5238869
Methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate
CID 50908123
Methyl 3-(2-(isoquinolin-5-yl)acetamido)thiophene-2-carboxylate
CID 52949817
Methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908356
Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994347
Methyl 3-amino-6-[2-(3-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031930
Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate
CID 13793447
Methyl 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1480204
Methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1486478
Methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905128
Methyl 3-amino-6-[2-(2-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994346

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate (CID 50908357) is methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3cncc4ccccc34)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is HQEDXESEVWQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-18(22)17-15(19)16-14(24-17)6-11(8-21-16)13-9-20-7-10-4-2-3-5-12(10)13/h2-9H,19H2,1H3.
What are the key properties of methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50908357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).