4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine

C24H20N2O3S — CID 69054288

IUPAC4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine
SMILESCOc1cc(-c2cnc(-c3ccc4[nH]ccc4c3)c3ccsc23)cc(OC)c1OC
InChIInChI=1S/C24H20N2O3S/c1-27-20-11-16(12-21(28-2)23(20)29-3)18-13-26-22(17-7-9-30-24(17)18)15-4-5-19-14(10-15)6-8-25-19/h4-13,25H,1-3H3
InChIKeyJTHQRZPBTPPQAD-UHFFFAOYSA-N
MW416.50 g/mol
LogP6.14
Rot. Bonds5

About 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine

4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine (PubChem CID 69054288) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine
PubChem CID69054288
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine
SMILESCOc1cc(-c2cnc(-c3ccc4[nH]ccc4c3)c3ccsc23)cc(OC)c1OC
InChIInChI=1S/C24H20N2O3S/c1-27-20-11-16(12-21(28-2)23(20)29-3)18-13-26-22(17-7-9-30-24(17)18)15-4-5-19-14(10-15)6-8-25-19/h4-13,25H,1-3H3
InChIKeyJTHQRZPBTPPQAD-UHFFFAOYSA-N
XLogP6.14
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine (CID 69054288) is 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine is COc1cc(-c2cnc(-c3ccc4[nH]ccc4c3)c3ccsc23)cc(OC)c1OC.
What is the InChIKey of 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine?
The InChIKey is JTHQRZPBTPPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-27-20-11-16(12-21(28-2)23(20)29-3)18-13-26-22(17-7-9-30-24(17)18)15-4-5-19-14(10-15)6-8-25-19/h4-13,25H,1-3H3.
What are the key properties of 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine?
4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine has a molecular weight of 416.50 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-7-(3,4,5-trimethoxyphenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 69054288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).