cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate

C54H68ClCsF2N14O14 — CID 159715985

About cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate

cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate (PubChem CID 159715985) has the molecular formula C54H68ClCsF2N14O14 and a molecular weight of 1343.58 g/mol. Its IUPAC name is cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate.

Molecular Properties

• Compound Name: cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate
• PubChem CID: 159715985
• Molecular Formula: C54H68ClCsF2N14O14
• Molecular Weight: 1343.58 g/mol
• Exact Mass: 1342.38
• IUPAC Name: cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate
• SMILES: CC(=O)N(C[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1)C(=O)OCCl.CC(=O)N(C[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1)C(=O)OCOC(=O)CN1CCN(C)CC1.CN1CCN(CC(=O)[O-])CC1.[Cs+]
• InChI: InChI=1S/C27H34FN7O7.C20H21ClFN5O5.C7H14N2O2.Cs/c1-18(36)34(26(38)41-17-40-25(37)16-32-8-6-30(2)7-9-32)13-21-14-35(27(39)42-21)20-4-5-24(22(28)10-20)33-12-19-11-31(3)29-23(19)15-33;1-12(28)26(19(29)31-11-21)8-15-9-27(20(30)32-15)14-3-4-18(16(22)5-14)25-7-13-6-24(2)23-17(13)10-25;1-8-2-4-9(5-3-8)6-7(10)11;/h4-5,10-11,21H,6-9,12-17H2,1-3H3;3-6,15H,7-11H2,1-2H3;2-6H2,1H3,(H,10,11);/q;;;+1/p-1/t21-;15-;;/m00../s1
• InChIKey: MZKYQQBPXKJUGX-PRZSPIBOSA-M
• XLogP: -1.29
• TPSA: 273.81 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1343.58
LogP ≤ 5	-1.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate?

The IUPAC name of cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate (CID 159715985) is cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate.

What is the SMILES notation for cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate?

The canonical SMILES for cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate is CC(=O)N(C[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1)C(=O)OCCl.CC(=O)N(C[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1)C(=O)OCOC(=O)CN1CCN(C)CC1.CN1CCN(CC(=O)[O-])CC1.[Cs+].

What is the InChIKey of cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate?

The InChIKey is MZKYQQBPXKJUGX-PRZSPIBOSA-M. The full InChI is InChI=1S/C27H34FN7O7.C20H21ClFN5O5.C7H14N2O2.Cs/c1-18(36)34(26(38)41-17-40-25(37)16-32-8-6-30(2)7-9-32)13-21-14-35(27(39)42-21)20-4-5-24(22(28)10-20)33-12-19-11-31(3)29-23(19)15-33;1-12(28)26(19(29)31-11-21)8-15-9-27(20(30)32-15)14-3-4-18(16(22)5-14)25-7-13-6-24(2)23-17(13)10-25;1-8-2-4-9(5-3-8)6-7(10)11;/h4-5,10-11,21H,6-9,12-17H2,1-3H3;3-6,15H,7-11H2,1-2H3;2-6H2,1H3,(H,10,11);/q;;;+1/p-1/t21-;15-;;/m00../s1.

What are the key properties of cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate?

cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate has a molecular weight of 1343.58 g/mol, XLogP of -1.29, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cesium;[acetyl-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamoyl]oxymethyl 2-(4-methylpiperazin-1-yl)acetate;chloromethyl N-acetyl-N-[[(5R)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;2-(4-methylpiperazin-1-yl)acetate is sourced from PubChem (CID 159715985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).