2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine

C19H17FN4O — CID 53494904

IUPAC2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc2cccnc2nc1C#Cc1cccc(F)c1
InChIInChI=1S/C19H17FN4O/c1-24(2)11-12-25-19-17(9-8-14-5-3-6-15(20)13-14)22-18-16(23-19)7-4-10-21-18/h3-7,10,13H,11-12H2,1-2H3
InChIKeyXJFSJPABOAMFFG-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.50
Rot. Bonds4

About 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine

2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine (PubChem CID 53494904) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine
PubChem CID53494904
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc2cccnc2nc1C#Cc1cccc(F)c1
InChIInChI=1S/C19H17FN4O/c1-24(2)11-12-25-19-17(9-8-14-5-3-6-15(20)13-14)22-18-16(23-19)7-4-10-21-18/h3-7,10,13H,11-12H2,1-2H3
InChIKeyXJFSJPABOAMFFG-UHFFFAOYSA-N
XLogP2.50
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine (CID 53494904) is 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1nc2cccnc2nc1C#Cc1cccc(F)c1.
What is the InChIKey of 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine?
The InChIKey is XJFSJPABOAMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-24(2)11-12-25-19-17(9-8-14-5-3-6-15(20)13-14)22-18-16(23-19)7-4-10-21-18/h3-7,10,13H,11-12H2,1-2H3.
What are the key properties of 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine?
2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine has a molecular weight of 336.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-fluorophenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 53494904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).