2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine

C23H29NOS — CID 57126800

IUPAC2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)sc(C)c12
InChIInChI=1S/C23H29NOS/c1-7-8-9-10-25-19-13-17(5)24-22-21(19)18(6)26-23(22)20-15(3)11-14(2)12-16(20)4/h11-13H,7-10H2,1-6H3
InChIKeySUOVVOXBFSDZAD-UHFFFAOYSA-N
MW367.56 g/mol
LogP7.07
Rot. Bonds6

About 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine

2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine (PubChem CID 57126800) has the molecular formula C23H29NOS and a molecular weight of 367.56 g/mol. Its IUPAC name is 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
PubChem CID57126800
Molecular FormulaC23H29NOS
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)sc(C)c12
InChIInChI=1S/C23H29NOS/c1-7-8-9-10-25-19-13-17(5)24-22-21(19)18(6)26-23(22)20-15(3)11-14(2)12-16(20)4/h11-13H,7-10H2,1-6H3
InChIKeySUOVVOXBFSDZAD-UHFFFAOYSA-N
XLogP7.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
The IUPAC name of 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine (CID 57126800) is 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
The canonical SMILES for 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine is CCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)sc(C)c12.
What is the InChIKey of 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
The InChIKey is SUOVVOXBFSDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NOS/c1-7-8-9-10-25-19-13-17(5)24-22-21(19)18(6)26-23(22)20-15(3)11-14(2)12-16(20)4/h11-13H,7-10H2,1-6H3.
What are the key properties of 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine has a molecular weight of 367.56 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pentoxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine is sourced from PubChem (CID 57126800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).