2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

C18H11N5O2 — CID 154656823

IUPAC2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)nc12
InChIInChI=1S/C18H11N5O2/c24-13-5-6-19-18-16(13)22-15(17(23-18)14-2-1-7-25-14)10-3-4-11-12(8-10)21-9-20-11/h1-9H,(H,20,21)(H,19,23,24)
InChIKeyLTPKLPIGSCDIQZ-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.12
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one

2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656823) has the molecular formula C18H11N5O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656823
Molecular FormulaC18H11N5O2
Molecular Weight329.32 g/mol
Exact Mass329.09
IUPAC Name2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)nc12
InChIInChI=1S/C18H11N5O2/c24-13-5-6-19-18-16(13)22-15(17(23-18)14-2-1-7-25-14)10-3-4-11-12(8-10)21-9-20-11/h1-9H,(H,20,21)(H,19,23,24)
InChIKeyLTPKLPIGSCDIQZ-UHFFFAOYSA-N
XLogP3.12
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656823) is 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is O=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)nc12.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is LTPKLPIGSCDIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O2/c24-13-5-6-19-18-16(13)22-15(17(23-18)14-2-1-7-25-14)10-3-4-11-12(8-10)21-9-20-11/h1-9H,(H,20,21)(H,19,23,24).
What are the key properties of 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one?
2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 329.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-3-(furan-2-yl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).