2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide

C29H34ClN5O2 — CID 71548136

IUPAC2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide
SMILESC[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21
InChIInChI=1S/C29H34ClN5O2/c1-20(19-34-13-11-33(2)12-14-34)32-27(36)16-24-18-31-29(37)26-17-25(22-9-6-10-23(30)15-22)28(35(24)26)21-7-4-3-5-8-21/h3-10,15,17,20,24H,11-14,16,18-19H2,1-2H3,(H,31,37)(H,32,36)/t20-,24+/m0/s1
InChIKeyQWEUDIWTPXLICK-GBXCKJPGSA-N
MW520.08 g/mol
LogP3.90
Rot. Bonds7

About 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide

2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide (PubChem CID 71548136) has the molecular formula C29H34ClN5O2 and a molecular weight of 520.08 g/mol. Its IUPAC name is 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide
PubChem CID71548136
Molecular FormulaC29H34ClN5O2
Molecular Weight520.08 g/mol
Exact Mass519.24
IUPAC Name2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide
SMILESC[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21
InChIInChI=1S/C29H34ClN5O2/c1-20(19-34-13-11-33(2)12-14-34)32-27(36)16-24-18-31-29(37)26-17-25(22-9-6-10-23(30)15-22)28(35(24)26)21-7-4-3-5-8-21/h3-10,15,17,20,24H,11-14,16,18-19H2,1-2H3,(H,31,37)(H,32,36)/t20-,24+/m0/s1
InChIKeyQWEUDIWTPXLICK-GBXCKJPGSA-N
XLogP3.90
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.08
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide (CID 71548136) is 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide is C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.
What is the InChIKey of 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide?
The InChIKey is QWEUDIWTPXLICK-GBXCKJPGSA-N. The full InChI is InChI=1S/C29H34ClN5O2/c1-20(19-34-13-11-33(2)12-14-34)32-27(36)16-24-18-31-29(37)26-17-25(22-9-6-10-23(30)15-22)28(35(24)26)21-7-4-3-5-8-21/h3-10,15,17,20,24H,11-14,16,18-19H2,1-2H3,(H,31,37)(H,32,36)/t20-,24+/m0/s1.
What are the key properties of 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide?
2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide has a molecular weight of 520.08 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 71548136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).