1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone

C26H23N3O3S — CID 69132741

About 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone

1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone (PubChem CID 69132741) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone
• PubChem CID: 69132741
• Molecular Formula: C26H23N3O3S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.15
• IUPAC Name: 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone
• SMILES: CC(=O)c1ccc(-c2cc(OC[C@@H](N)Cc3c[nH]c4ccccc34)cnc2-c2ccoc2)s1
• InChI: InChI=1S/C26H23N3O3S/c1-16(30)24-6-7-25(33-24)22-11-20(13-29-26(22)17-8-9-31-14-17)32-15-19(27)10-18-12-28-23-5-3-2-4-21(18)23/h2-9,11-14,19,28H,10,15,27H2,1H3/t19-/m0/s1
• InChIKey: RIERAIPIOHIHBJ-IBGZPJMESA-N
• XLogP: 5.70
• TPSA: 94.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone?

The IUPAC name of 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone (CID 69132741) is 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone.

What is the SMILES notation for 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone?

The canonical SMILES for 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(OC[C@@H](N)Cc3c[nH]c4ccccc34)cnc2-c2ccoc2)s1.

What is the InChIKey of 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone?

The InChIKey is RIERAIPIOHIHBJ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-16(30)24-6-7-25(33-24)22-11-20(13-29-26(22)17-8-9-31-14-17)32-15-19(27)10-18-12-28-23-5-3-2-4-21(18)23/h2-9,11-14,19,28H,10,15,27H2,1H3/t19-/m0/s1.

What are the key properties of 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone?

1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone has a molecular weight of 457.56 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 69132741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).