3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C31H26N4O2S — CID 23970143

About 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23970143) has the molecular formula C31H26N4O2S and a molecular weight of 518.64 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23970143
• Molecular Formula: C31H26N4O2S
• Molecular Weight: 518.64 g/mol
• Exact Mass: 518.18
• IUPAC Name: 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NCCc4c[nH]c5ccccc45)c(N)c23)cc1
• InChI: InChI=1S/C31H26N4O2S/c1-37-22-13-11-19(12-14-22)24-17-26(20-7-3-2-4-8-20)35-31-27(24)28(32)29(38-31)30(36)33-16-15-21-18-34-25-10-6-5-9-23(21)25/h2-14,17-18,34H,15-16,32H2,1H3,(H,33,36)
• InChIKey: UKOVDZWSKFUHSU-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 93.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.64
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23970143) is 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NCCc4c[nH]c5ccccc45)c(N)c23)cc1.

What is the InChIKey of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is UKOVDZWSKFUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2S/c1-37-22-13-11-19(12-14-22)24-17-26(20-7-3-2-4-8-20)35-31-27(24)28(32)29(38-31)30(36)33-16-15-21-18-34-25-10-6-5-9-23(21)25/h2-14,17-18,34H,15-16,32H2,1H3,(H,33,36).

What are the key properties of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 518.64 g/mol, XLogP of 6.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23970143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).