(4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone

C20H15BrN2O — CID 155755565

IUPAC(4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)N=Cc2cccn21
InChIInChI=1S/C20H15BrN2O/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/h1-13,18-19H/t18-,19+/m1/s1
InChIKeyNCOFTTQOYYAGNE-MOPGFXCFSA-N
MW379.26 g/mol
LogP4.85
Rot. Bonds3

About (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone

(4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone (PubChem CID 155755565) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
PubChem CID155755565
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name(4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
SMILESO=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)N=Cc2cccn21
InChIInChI=1S/C20H15BrN2O/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/h1-13,18-19H/t18-,19+/m1/s1
InChIKeyNCOFTTQOYYAGNE-MOPGFXCFSA-N
XLogP4.85
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The IUPAC name of (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone (CID 155755565) is (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone is O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)N=Cc2cccn21.
What is the InChIKey of (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The InChIKey is NCOFTTQOYYAGNE-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H15BrN2O/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/h1-13,18-19H/t18-,19+/m1/s1.
What are the key properties of (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
(4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone has a molecular weight of 379.26 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(3R,4S)-3-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone is sourced from PubChem (CID 155755565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).