3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine

C22H16N4O — CID 53494897

IUPAC3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine
SMILESC(#Cc1nc2ncccc2nc1OCCc1ccccn1)c1ccccc1
InChIInChI=1S/C22H16N4O/c1-2-7-17(8-3-1)11-12-20-22(26-19-10-6-15-24-21(19)25-20)27-16-13-18-9-4-5-14-23-18/h1-10,14-15H,13,16H2
InChIKeyMYVNMLLQYATQPQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.44
Rot. Bonds4

About 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine

3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine (PubChem CID 53494897) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine
PubChem CID53494897
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine
SMILESC(#Cc1nc2ncccc2nc1OCCc1ccccn1)c1ccccc1
InChIInChI=1S/C22H16N4O/c1-2-7-17(8-3-1)11-12-20-22(26-19-10-6-15-24-21(19)25-20)27-16-13-18-9-4-5-14-23-18/h1-10,14-15H,13,16H2
InChIKeyMYVNMLLQYATQPQ-UHFFFAOYSA-N
XLogP3.44
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine
CID 56682080
Pteridine, 2-amino-4-benzoxy-
CID 10332482
6-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine
CID 54670399
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 54670488
2-[3-[3-(2-Methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670489
2-[3-(3-Pyridin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547740
2-[3-(3-Quinolin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547875
2-[3-[3-(4-Methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548001
2-[3-(3-Pyrimidin-5-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548022
2-[3-(3-Phenylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548080
2-[3-[3-(6-Methyl-3-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548107
2-[3-(3-Quinolin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548113

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine?
The IUPAC name of 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine (CID 53494897) is 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine is C(#Cc1nc2ncccc2nc1OCCc1ccccn1)c1ccccc1.
What is the InChIKey of 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine?
The InChIKey is MYVNMLLQYATQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-2-7-17(8-3-1)11-12-20-22(26-19-10-6-15-24-21(19)25-20)27-16-13-18-9-4-5-14-23-18/h1-10,14-15H,13,16H2.
What are the key properties of 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine?
3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine has a molecular weight of 352.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-2-(2-pyridin-2-ylethoxy)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 53494897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).