5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride

C48H71ClF2N10O3Si — CID 159366601

About 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride

5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride (PubChem CID 159366601) has the molecular formula C48H71ClF2N10O3Si and a molecular weight of 937.70 g/mol. Its IUPAC name is 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride
• PubChem CID: 159366601
• Molecular Formula: C48H71ClF2N10O3Si
• Molecular Weight: 937.70 g/mol
• Exact Mass: 936.51
• IUPAC Name: 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride
• SMILES: CN1CCN(c2nc(CCCN[C@@H]3C[C@H]3c3ccc(F)cc3)c[nH]c2=O)CC1.CN1CCN(c2nc(CCCN[C@@H]3C[C@H]3c3ccc(F)cc3)cn(COCC[Si](C)(C)C)c2=O)CC1.Cl
• InChI: InChI=1S/C27H42FN5O2Si.C21H28FN5O.ClH/c1-31-12-14-32(15-13-31)26-27(34)33(20-35-16-17-36(2,3)4)19-23(30-26)6-5-11-29-25-18-24(25)21-7-9-22(28)10-8-21;1-26-9-11-27(12-10-26)20-21(28)24-14-17(25-20)3-2-8-23-19-13-18(19)15-4-6-16(22)7-5-15;/h7-10,19,24-25,29H,5-6,11-18,20H2,1-4H3;4-7,14,18-19,23H,2-3,8-13H2,1H3,(H,24,28);1H/t24-,25+;18-,19+;/m00./s1
• InChIKey: CELBSGXNHAUYBS-MKFVCOFCSA-N
• XLogP: 5.69
• TPSA: 126.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.70
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride?

The IUPAC name of 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride (CID 159366601) is 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride.

What is the SMILES notation for 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride?

The canonical SMILES for 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride is CN1CCN(c2nc(CCCN[C@@H]3C[C@H]3c3ccc(F)cc3)c[nH]c2=O)CC1.CN1CCN(c2nc(CCCN[C@@H]3C[C@H]3c3ccc(F)cc3)cn(COCC[Si](C)(C)C)c2=O)CC1.Cl.

What is the InChIKey of 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride?

The InChIKey is CELBSGXNHAUYBS-MKFVCOFCSA-N. The full InChI is InChI=1S/C27H42FN5O2Si.C21H28FN5O.ClH/c1-31-12-14-32(15-13-31)26-27(34)33(20-35-16-17-36(2,3)4)19-23(30-26)6-5-11-29-25-18-24(25)21-7-9-22(28)10-8-21;1-26-9-11-27(12-10-26)20-21(28)24-14-17(25-20)3-2-8-23-19-13-18(19)15-4-6-16(22)7-5-15;/h7-10,19,24-25,29H,5-6,11-18,20H2,1-4H3;4-7,14,18-19,23H,2-3,8-13H2,1H3,(H,24,28);1H/t24-,25+;18-,19+;/m00./s1.

What are the key properties of 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride?

5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride has a molecular weight of 937.70 g/mol, XLogP of 5.69, 19 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one;5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-3-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)pyrazin-2-one;hydrochloride is sourced from PubChem (CID 159366601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).