methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate

C18H14N4O2S — CID 50907060

IUPACmethyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3nccc4ccccc34)cnc2c1N
InChIInChI=1S/C18H14N4O2S/c1-24-18(23)16-14(19)15-13(25-16)8-11(9-21-15)22-17-12-5-3-2-4-10(12)6-7-20-17/h2-9H,19H2,1H3,(H,20,22)
InChIKeyOXVKVVDHTUEEBI-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.96
Rot. Bonds3

About methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50907060) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50907060
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Namemethyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3nccc4ccccc34)cnc2c1N
InChIInChI=1S/C18H14N4O2S/c1-24-18(23)16-14(19)15-13(25-16)8-11(9-21-15)22-17-12-5-3-2-4-10(12)6-7-20-17/h2-9H,19H2,1H3,(H,20,22)
InChIKeyOXVKVVDHTUEEBI-UHFFFAOYSA-N
XLogP3.96
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 3-amino-6-(benzo[d]thiazol-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907058
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-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-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908357
Methyl 3-amino-6-[2-(2-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994346
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-(pyridin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907061
Methyl 3-amino-6-(pyridin-3-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907062

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate (CID 50907060) is methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Nc3nccc4ccccc34)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is OXVKVVDHTUEEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-24-18(23)16-14(19)15-13(25-16)8-11(9-21-15)22-17-12-5-3-2-4-10(12)6-7-20-17/h2-9H,19H2,1H3,(H,20,22).
What are the key properties of methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 3.96, 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-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50907060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).