1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea

C15H14N6OS — CID 16730526

IUPAC1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESCCNC(=O)Nc1ccc2ncc(Sc3ccccn3)nc2n1
InChIInChI=1S/C15H14N6OS/c1-2-16-15(22)20-11-7-6-10-14(19-11)21-13(9-18-10)23-12-5-3-4-8-17-12/h3-9H,2H2,1H3,(H2,16,19,20,21,22)
InChIKeyMEICUEBJUHYDCX-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.71
Rot. Bonds4

About 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea

1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea (PubChem CID 16730526) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea
PubChem CID16730526
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESCCNC(=O)Nc1ccc2ncc(Sc3ccccn3)nc2n1
InChIInChI=1S/C15H14N6OS/c1-2-16-15(22)20-11-7-6-10-14(19-11)21-13(9-18-10)23-12-5-3-4-8-17-12/h3-9H,2H2,1H3,(H2,16,19,20,21,22)
InChIKeyMEICUEBJUHYDCX-UHFFFAOYSA-N
XLogP2.71
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea?
The IUPAC name of 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea (CID 16730526) is 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea.
What is the SMILES notation for 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea?
The canonical SMILES for 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea is CCNC(=O)Nc1ccc2ncc(Sc3ccccn3)nc2n1.
What is the InChIKey of 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea?
The InChIKey is MEICUEBJUHYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-2-16-15(22)20-11-7-6-10-14(19-11)21-13(9-18-10)23-12-5-3-4-8-17-12/h3-9H,2H2,1H3,(H2,16,19,20,21,22).
What are the key properties of 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea?
1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea has a molecular weight of 326.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-pyridin-2-ylsulfanylpyrido[2,3-b]pyrazin-6-yl)urea is sourced from PubChem (CID 16730526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).