5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine

C15H9N3S — CID 170567146

IUPAC5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine
SMILESc1ccc2sc(-c3nccc4nccnc34)cc2c1
InChIInChI=1S/C15H9N3S/c1-2-4-12-10(3-1)9-13(19-12)15-14-11(5-6-17-15)16-7-8-18-14/h1-9H
InChIKeyJDFNAIZTPZQXPF-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.91
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine

5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine (PubChem CID 170567146) has the molecular formula C15H9N3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine
PubChem CID170567146
Molecular FormulaC15H9N3S
Molecular Weight263.32 g/mol
Exact Mass263.05
IUPAC Name5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine
SMILESc1ccc2sc(-c3nccc4nccnc34)cc2c1
InChIInChI=1S/C15H9N3S/c1-2-4-12-10(3-1)9-13(19-12)15-14-11(5-6-17-15)16-7-8-18-14/h1-9H
InChIKeyJDFNAIZTPZQXPF-UHFFFAOYSA-N
XLogP3.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one
CID 154352943
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
6-(1-benzothiophen-2-yl)indolo[1,2-a]quinoxaline
CID 162406863
1-(1-benzothiophen-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline
CID 156629457
1-(1-benzothiophen-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline
CID 156629434
tris(2-(1-benzothiophen-2-yl)-3H-pyridin-3-ide);iridium(3+)
CID 87200937
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
3-[[2-(1-benzothiophen-2-yl)pyrimidin-4-yl]amino]propan-1-ol
CID 42641072
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine?
The IUPAC name of 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine (CID 170567146) is 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine is c1ccc2sc(-c3nccc4nccnc34)cc2c1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine?
The InChIKey is JDFNAIZTPZQXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3S/c1-2-4-12-10(3-1)9-13(19-12)15-14-11(5-6-17-15)16-7-8-18-14/h1-9H.
What are the key properties of 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine?
5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine has a molecular weight of 263.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 170567146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).