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

C₁₈H₁₄N₄O₂S — CID 50907060

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 Name: Methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
• PubChem CID: 50907060
• Molecular Formula: C₁₈H₁₄N₄O₂S
• Molecular Weight: 350.40 g/mol
• Exact Mass: 350.08
• IUPAC Name: methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
• SMILES: COC(=O)c1sc2cc(Nc3nccc4ccccc34)cnc2c1N
• InChI: 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)
• InChIKey: OXVKVVDHTUEEBI-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.40
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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).

Sources

• PubChem CID 50907060 — identifiers, structure, computed properties (public domain)

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