2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide

C33H32Br2F2N6O5 — CID 129275263

IUPAC2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@@H](CO)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21.NC(=O)CC1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21
InChIInChI=1S/C18H19BrFN3O3.C15H13BrFN3O2/c1-10(9-24)22-16(25)6-13-8-21-18(26)15-7-14(17(19)23(13)15)11-3-2-4-12(20)5-11;16-14-11(8-2-1-3-9(17)4-8)6-12-15(22)19-7-10(20(12)14)5-13(18)21/h2-5,7,10,13,24H,6,8-9H2,1H3,(H,21,26)(H,22,25);1-4,6,10H,5,7H2,(H2,18,21)(H,19,22)/t10-,13-;/m0./s1
InChIKeyAXJVEHZQXALLKF-VVBGOIRUSA-N
MW790.46 g/mol
LogP4.44
Rot. Bonds8

About 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide

2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide (PubChem CID 129275263) has the molecular formula C33H32Br2F2N6O5 and a molecular weight of 790.46 g/mol. Its IUPAC name is 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
PubChem CID129275263
Molecular FormulaC33H32Br2F2N6O5
Molecular Weight790.46 g/mol
Exact Mass788.08
IUPAC Name2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@@H](CO)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21.NC(=O)CC1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21
InChIInChI=1S/C18H19BrFN3O3.C15H13BrFN3O2/c1-10(9-24)22-16(25)6-13-8-21-18(26)15-7-14(17(19)23(13)15)11-3-2-4-12(20)5-11;16-14-11(8-2-1-3-9(17)4-8)6-12-15(22)19-7-10(20(12)14)5-13(18)21/h2-5,7,10,13,24H,6,8-9H2,1H3,(H,21,26)(H,22,25);1-4,6,10H,5,7H2,(H2,18,21)(H,19,22)/t10-,13-;/m0./s1
InChIKeyAXJVEHZQXALLKF-VVBGOIRUSA-N
XLogP4.44
TPSA160.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500790.46
LogP ≤ 54.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide (CID 129275263) is 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide is C[C@@H](CO)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21.NC(=O)CC1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21.
What is the InChIKey of 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is AXJVEHZQXALLKF-VVBGOIRUSA-N. The full InChI is InChI=1S/C18H19BrFN3O3.C15H13BrFN3O2/c1-10(9-24)22-16(25)6-13-8-21-18(26)15-7-14(17(19)23(13)15)11-3-2-4-12(20)5-11;16-14-11(8-2-1-3-9(17)4-8)6-12-15(22)19-7-10(20(12)14)5-13(18)21/h2-5,7,10,13,24H,6,8-9H2,1H3,(H,21,26)(H,22,25);1-4,6,10H,5,7H2,(H2,18,21)(H,19,22)/t10-,13-;/m0./s1.
What are the key properties of 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide?
2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 790.46 g/mol, XLogP of 4.44, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide;2-[(4S)-6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 129275263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).