2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane

C103H110Cl4N14O10 — CID 159451447

About 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane

2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane (PubChem CID 159451447) has the molecular formula C103H110Cl4N14O10 and a molecular weight of 1845.91 g/mol. Its IUPAC name is 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane.

Molecular Properties

• Compound Name: 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane
• PubChem CID: 159451447
• Molecular Formula: C103H110Cl4N14O10
• Molecular Weight: 1845.91 g/mol
• Exact Mass: 1842.73
• IUPAC Name: 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane
• SMILES: C.CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.O=C(O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21
• InChI: InChI=1S/2C29H34ClN5O2.C23H21ClN2O3.C21H17ClN2O3.CH4/c2*1-20(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;1-2-29-21(27)12-18-14-25-23(28)20-13-19(16-9-6-10-17(24)11-16)22(26(18)20)15-7-4-3-5-8-15;22-15-8-4-7-14(9-15)17-11-18-21(27)23-12-16(10-19(25)26)24(18)20(17)13-5-2-1-3-6-13;/h2*3-10,15,17,20,24H,11-14,16,18-19H2,1-2H3,(H,31,37)(H,32,36);3-11,13,18H,2,12,14H2,1H3,(H,25,28);1-9,11,16H,10,12H2,(H,23,27)(H,25,26);1H4/t20-,24+;20-,24-;;;/m00.../s1
• InChIKey: LTKVIJMXBVVUNP-MWSJYTTGSA-N
• XLogP: 17.39
• TPSA: 270.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1845.91
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane?

The IUPAC name of 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane (CID 159451447) is 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane.

What is the SMILES notation for 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane?

The canonical SMILES for 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane is C.CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.O=C(O)CC1CNC(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccccc3)n21.

What is the InChIKey of 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane?

The InChIKey is LTKVIJMXBVVUNP-MWSJYTTGSA-N. The full InChI is InChI=1S/2C29H34ClN5O2.C23H21ClN2O3.C21H17ClN2O3.CH4/c2*1-20(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;1-2-29-21(27)12-18-14-25-23(28)20-13-19(16-9-6-10-17(24)11-16)22(26(18)20)15-7-4-3-5-8-15;22-15-8-4-7-14(9-15)17-11-18-21(27)23-12-16(10-19(25)26)24(18)20(17)13-5-2-1-3-6-13;/h2*3-10,15,17,20,24H,11-14,16,18-19H2,1-2H3,(H,31,37)(H,32,36);3-11,13,18H,2,12,14H2,1H3,(H,25,28);1-9,11,16H,10,12H2,(H,23,27)(H,25,26);1H4/t20-,24+;20-,24-;;;/m00.../s1.

What are the key properties of 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane?

2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane has a molecular weight of 1845.91 g/mol, XLogP of 17.39, 23 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid;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-[(4S)-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;ethyl 2-[7-(3-chlorophenyl)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;methane is sourced from PubChem (CID 159451447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).