4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline

C20H22N4OS — CID 90287266

IUPAC4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)CCOc1nc2cscc2nc1C#Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N4OS/c1-23(2)11-12-25-20-17(21-18-13-26-14-19(18)22-20)10-7-15-5-8-16(9-6-15)24(3)4/h5-6,8-9,13-14H,11-12H2,1-4H3
InChIKeyQLZRJOFQEUABES-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.10
Rot. Bonds5

About 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline

4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline (PubChem CID 90287266) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline
PubChem CID90287266
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)CCOc1nc2cscc2nc1C#Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H22N4OS/c1-23(2)11-12-25-20-17(21-18-13-26-14-19(18)22-20)10-7-15-5-8-16(9-6-15)24(3)4/h5-6,8-9,13-14H,11-12H2,1-4H3
InChIKeyQLZRJOFQEUABES-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline (CID 90287266) is 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline is CN(C)CCOc1nc2cscc2nc1C#Cc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline?
The InChIKey is QLZRJOFQEUABES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-23(2)11-12-25-20-17(21-18-13-26-14-19(18)22-20)10-7-15-5-8-16(9-6-15)24(3)4/h5-6,8-9,13-14H,11-12H2,1-4H3.
What are the key properties of 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline?
4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline has a molecular weight of 366.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(dimethylamino)ethoxy]thieno[3,4-b]pyrazin-2-yl]ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 90287266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).