2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine

C18H9N7OS — CID 130433871

IUPAC2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine
SMILESc1cnc2[nH]c(-c3cnc4oc(-c5cnc6sccc6n5)cc4n3)cc2n1
InChIInChI=1S/C18H9N7OS/c1-4-27-18-9(1)23-14(8-22-18)15-6-12-17(26-15)21-7-13(24-12)10-5-11-16(25-10)20-3-2-19-11/h1-8H,(H,20,25)
InChIKeyCBIKJWYRIDMXIM-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.83
Rot. Bonds2

About 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine

2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine (PubChem CID 130433871) has the molecular formula C18H9N7OS and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine
PubChem CID130433871
Molecular FormulaC18H9N7OS
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine
SMILESc1cnc2[nH]c(-c3cnc4oc(-c5cnc6sccc6n5)cc4n3)cc2n1
InChIInChI=1S/C18H9N7OS/c1-4-27-18-9(1)23-14(8-22-18)15-6-12-17(26-15)21-7-13(24-12)10-5-11-16(25-10)20-3-2-19-11/h1-8H,(H,20,25)
InChIKeyCBIKJWYRIDMXIM-UHFFFAOYSA-N
XLogP3.83
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine?
The IUPAC name of 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine (CID 130433871) is 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine.
What is the SMILES notation for 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine?
The canonical SMILES for 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine is c1cnc2[nH]c(-c3cnc4oc(-c5cnc6sccc6n5)cc4n3)cc2n1.
What is the InChIKey of 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine?
The InChIKey is CBIKJWYRIDMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9N7OS/c1-4-27-18-9(1)23-14(8-22-18)15-6-12-17(26-15)21-7-13(24-12)10-5-11-16(25-10)20-3-2-19-11/h1-8H,(H,20,25).
What are the key properties of 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine?
2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine has a molecular weight of 371.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-pyrrolo[2,3-b]pyrazin-6-yl)-6-thieno[2,3-b]pyrazin-2-ylfuro[2,3-b]pyrazine is sourced from PubChem (CID 130433871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).