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

C26H23N3O3S — CID 69132738

IUPAC1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(OC[C@H](N)Cc3c[nH]c4ccccc34)cnc2-c2ccoc2)s1
InChIInChI=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-/m1/s1
InChIKeyRIERAIPIOHIHBJ-LJQANCHMSA-N
MW457.56 g/mol
LogP5.70
Rot. Bonds8

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

1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone (PubChem CID 69132738) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone
PubChem CID69132738
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(OC[C@H](N)Cc3c[nH]c4ccccc34)cnc2-c2ccoc2)s1
InChIInChI=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-/m1/s1
InChIKeyRIERAIPIOHIHBJ-LJQANCHMSA-N
XLogP5.70
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[(2R)-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-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone (CID 69132738) is 1-[5-[5-[(2R)-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-[(2R)-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-[(2R)-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-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone?
The InChIKey is RIERAIPIOHIHBJ-LJQANCHMSA-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-/m1/s1.
What are the key properties of 1-[5-[5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone?
1-[5-[5-[(2R)-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-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)-3-pyridinyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 69132738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).