3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C21H15ClFN3O2S — CID 1003863

About 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003863) has the molecular formula C21H15ClFN3O2S and a molecular weight of 427.89 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 1003863
• Molecular Formula: C21H15ClFN3O2S
• Molecular Weight: 427.89 g/mol
• Exact Mass: 427.06
• IUPAC Name: 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4F)sc3n2)c1
• InChI: InChI=1S/C21H15ClFN3O2S/c1-28-13-4-2-3-11(9-13)16-8-6-14-18(24)19(29-21(14)26-16)20(27)25-17-7-5-12(22)10-15(17)23/h2-10H,24H2,1H3,(H,25,27)
• InChIKey: CNVYIKWDDPTKTP-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.89
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1003863) is 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4F)sc3n2)c1.

What is the InChIKey of 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is CNVYIKWDDPTKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2S/c1-28-13-4-2-3-11(9-13)16-8-6-14-18(24)19(29-21(14)26-16)20(27)25-17-7-5-12(22)10-15(17)23/h2-10H,24H2,1H3,(H,25,27).

What are the key properties of 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(4-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).