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

C23H29NOS — CID 22474311

IUPAC2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)sc(C)c12
InChIInChI=1S/C23H29NOS/c1-8-18(9-2)25-19-12-16(6)24-22-21(19)17(7)26-23(22)20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3
InChIKeyBUGVWEHXJZLWOB-UHFFFAOYSA-N
MW367.56 g/mol
LogP7.07
Rot. Bonds5

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

2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine (PubChem CID 22474311) has the molecular formula C23H29NOS and a molecular weight of 367.56 g/mol. Its IUPAC name is 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
PubChem CID22474311
Molecular FormulaC23H29NOS
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)sc(C)c12
InChIInChI=1S/C23H29NOS/c1-8-18(9-2)25-19-12-16(6)24-22-21(19)17(7)26-23(22)20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3
InChIKeyBUGVWEHXJZLWOB-UHFFFAOYSA-N
XLogP7.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
The IUPAC name of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine (CID 22474311) is 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
The canonical SMILES for 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine is CCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(C)cc3C)sc(C)c12.
What is the InChIKey of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
The InChIKey is BUGVWEHXJZLWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NOS/c1-8-18(9-2)25-19-12-16(6)24-22-21(19)17(7)26-23(22)20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3.
What are the key properties of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine?
2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine has a molecular weight of 367.56 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)thieno[3,4-b]pyridine is sourced from PubChem (CID 22474311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).