3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid

C13H13N3O2S — CID 136552395

IUPAC3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCc2nccnc2C1
InChIInChI=1S/C13H13N3O2S/c17-13(18)12-9(2-6-19-12)7-16-5-1-10-11(8-16)15-4-3-14-10/h2-4,6H,1,5,7-8H2,(H,17,18)
InChIKeyFQOVKGXNJDWPDI-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.79
Rot. Bonds3

About 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid

3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 136552395) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid
PubChem CID136552395
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCc2nccnc2C1
InChIInChI=1S/C13H13N3O2S/c17-13(18)12-9(2-6-19-12)7-16-5-1-10-11(8-16)15-4-3-14-10/h2-4,6H,1,5,7-8H2,(H,17,18)
InChIKeyFQOVKGXNJDWPDI-UHFFFAOYSA-N
XLogP1.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid (CID 136552395) is 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1CN1CCc2nccnc2C1.
What is the InChIKey of 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is FQOVKGXNJDWPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(18)12-9(2-6-19-12)7-16-5-1-10-11(8-16)15-4-3-14-10/h2-4,6H,1,5,7-8H2,(H,17,18).
What are the key properties of 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid?
3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 136552395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).