5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde

C26H16N2O2S4 — CID 122502666

IUPAC5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(-c3cnc4cc(-c5ccc(-c6ccc(C=O)s6)s5)cnc4c3)s2)s1
InChIInChI=1S/C26H16N2O2S4/c1-30-26-9-8-25(34-26)24-7-5-21(33-24)16-11-19-18(28-13-16)10-15(12-27-19)20-4-6-23(32-20)22-3-2-17(14-29)31-22/h2-14H,1H3
InChIKeyLYBDHERTHOVJIV-UHFFFAOYSA-N
MW516.69 g/mol
LogP8.36
Rot. Bonds6

About 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde

5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 122502666) has the molecular formula C26H16N2O2S4 and a molecular weight of 516.69 g/mol. Its IUPAC name is 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID122502666
Molecular FormulaC26H16N2O2S4
Molecular Weight516.69 g/mol
Exact Mass516.01
IUPAC Name5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(-c3cnc4cc(-c5ccc(-c6ccc(C=O)s6)s5)cnc4c3)s2)s1
InChIInChI=1S/C26H16N2O2S4/c1-30-26-9-8-25(34-26)24-7-5-21(33-24)16-11-19-18(28-13-16)10-15(12-27-19)20-4-6-23(32-20)22-3-2-17(14-29)31-22/h2-14H,1H3
InChIKeyLYBDHERTHOVJIV-UHFFFAOYSA-N
XLogP8.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde 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 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde (CID 122502666) is 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde is COc1ccc(-c2ccc(-c3cnc4cc(-c5ccc(-c6ccc(C=O)s6)s5)cnc4c3)s2)s1.
What is the InChIKey of 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is LYBDHERTHOVJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2S4/c1-30-26-9-8-25(34-26)24-7-5-21(33-24)16-11-19-18(28-13-16)10-15(12-27-19)20-4-6-23(32-20)22-3-2-17(14-29)31-22/h2-14H,1H3.
What are the key properties of 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 516.69 g/mol, XLogP of 8.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[7-[5-(5-methoxythiophen-2-yl)thiophen-2-yl]-1,5-naphthyridin-3-yl]thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 122502666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).