2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

C20H13N5O — CID 154657543

IUPAC2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1ccc2nc(-c3ccc4nc[nH]c4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C20H13N5O/c26-17-9-8-15-20(24-17)25-18(12-4-2-1-3-5-12)19(23-15)13-6-7-14-16(10-13)22-11-21-14/h1-11H,(H,21,22)(H,24,25,26)
InChIKeyXZIDUMBULXCVOZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.53
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154657543) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154657543
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1ccc2nc(-c3ccc4nc[nH]c4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C20H13N5O/c26-17-9-8-15-20(24-17)25-18(12-4-2-1-3-5-12)19(23-15)13-6-7-14-16(10-13)22-11-21-14/h1-11H,(H,21,22)(H,24,25,26)
InChIKeyXZIDUMBULXCVOZ-UHFFFAOYSA-N
XLogP3.53
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154657543) is 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is O=c1ccc2nc(-c3ccc4nc[nH]c4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is XZIDUMBULXCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c26-17-9-8-15-20(24-17)25-18(12-4-2-1-3-5-12)19(23-15)13-6-7-14-16(10-13)22-11-21-14/h1-11H,(H,21,22)(H,24,25,26).
What are the key properties of 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 339.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154657543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).