(4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone

C20H13BrN2O — CID 155755582

IUPAC(4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c(-c2ccccc2)ncc2cccn12
InChIInChI=1S/C20H13BrN2O/c21-16-10-8-15(9-11-16)20(24)19-18(14-5-2-1-3-6-14)22-13-17-7-4-12-23(17)19/h1-13H
InChIKeyIIZPBLIDIONYAG-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.99
Rot. Bonds3

About (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone

(4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone (PubChem CID 155755582) has the molecular formula C20H13BrN2O and a molecular weight of 377.24 g/mol. Its IUPAC name is (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone
PubChem CID155755582
Molecular FormulaC20H13BrN2O
Molecular Weight377.24 g/mol
Exact Mass376.02
IUPAC Name(4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c(-c2ccccc2)ncc2cccn12
InChIInChI=1S/C20H13BrN2O/c21-16-10-8-15(9-11-16)20(24)19-18(14-5-2-1-3-6-14)22-13-17-7-4-12-23(17)19/h1-13H
InChIKeyIIZPBLIDIONYAG-UHFFFAOYSA-N
XLogP4.99
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone?
The IUPAC name of (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone (CID 155755582) is (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone is O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)ncc2cccn12.
What is the InChIKey of (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone?
The InChIKey is IIZPBLIDIONYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O/c21-16-10-8-15(9-11-16)20(24)19-18(14-5-2-1-3-6-14)22-13-17-7-4-12-23(17)19/h1-13H.
What are the key properties of (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone?
(4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone has a molecular weight of 377.24 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-phenylpyrrolo[1,2-a]pyrazin-4-yl)methanone is sourced from PubChem (CID 155755582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).