7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine

C19H15N3 — CID 6538796

IUPAC7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
SMILESc1ccc(Cc2c(-c3ccccc3)[nH]c3nccnc23)cc1
InChIInChI=1S/C19H15N3/c1-3-7-14(8-4-1)13-16-17(15-9-5-2-6-10-15)22-19-18(16)20-11-12-21-19/h1-12H,13H2,(H,21,22)
InChIKeyCBALVKLWBKZXIX-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.22
Rot. Bonds3

About 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine

7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538796) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538796
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
SMILESc1ccc(Cc2c(-c3ccccc3)[nH]c3nccnc23)cc1
InChIInChI=1S/C19H15N3/c1-3-7-14(8-4-1)13-16-17(15-9-5-2-6-10-15)22-19-18(16)20-11-12-21-19/h1-12H,13H2,(H,21,22)
InChIKeyCBALVKLWBKZXIX-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine (CID 6538796) is 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine is c1ccc(Cc2c(-c3ccccc3)[nH]c3nccnc23)cc1.
What is the InChIKey of 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is CBALVKLWBKZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-3-7-14(8-4-1)13-16-17(15-9-5-2-6-10-15)22-19-18(16)20-11-12-21-19/h1-12H,13H2,(H,21,22).
What are the key properties of 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine?
7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 285.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).