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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C80H99Cl3CsF3N18O25 — CID 160753076

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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 160753076) has the molecular formula C80H99Cl3CsF3N18O25 and a molecular weight of 2009.03 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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
• PubChem CID: 160753076
• Molecular Formula: C80H99Cl3CsF3N18O25
• Molecular Weight: 2009.03 g/mol
• Exact Mass: 2006.51
• 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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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)CN(C)C(=O)OC(C)(C)C.CN(CC(=O)[O-])C(=O)OC(C)(C)C.CNCC(=O)OCOC(=O)N(C[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1)C(C)=O.ClCCl.[Cs+]
• InChI: InChI=1S/C28H35FN6O9.C23H27FN6O7.C20H21ClFN5O5.C8H15NO4.CH2Cl2.Cs/c1-17(36)34(26(39)42-16-41-24(37)15-31(5)25(38)44-28(2,3)4)12-20-13-35(27(40)43-20)19-7-8-23(21(29)9-19)33-11-18-10-32(6)30-22(18)14-33;1-14(31)29(22(33)36-13-35-21(32)7-25-2)10-17-11-30(23(34)37-17)16-4-5-20(18(24)6-16)28-9-15-8-27(3)26-19(15)12-28;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(2,3)13-7(12)9(4)5-6(10)11;2-1-3;/h7-10,20H,11-16H2,1-6H3;4-6,8,17,25H,7,9-13H2,1-3H3;3-6,15H,7-11H2,1-2H3;5H2,1-4H3,(H,10,11);1H2;/q;;;;;+1/p-1/t20-;17-;15-;;;/m000.../s1
• InChIKey: RXBQSHAENXKIRW-JGXHTONKSA-M
• XLogP: 4.48
• TPSA: 455.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2009.03
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 160753076) 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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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)CN(C)C(=O)OC(C)(C)C.CN(CC(=O)[O-])C(=O)OC(C)(C)C.CNCC(=O)OCOC(=O)N(C[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1)C(C)=O.ClCCl.[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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?

The InChIKey is RXBQSHAENXKIRW-JGXHTONKSA-M. The full InChI is InChI=1S/C28H35FN6O9.C23H27FN6O7.C20H21ClFN5O5.C8H15NO4.CH2Cl2.Cs/c1-17(36)34(26(39)42-16-41-24(37)15-31(5)25(38)44-28(2,3)4)12-20-13-35(27(40)43-20)19-7-8-23(21(29)9-19)33-11-18-10-32(6)30-22(18)14-33;1-14(31)29(22(33)36-13-35-21(32)7-25-2)10-17-11-30(23(34)37-17)16-4-5-20(18(24)6-16)28-9-15-8-27(3)26-19(15)12-28;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(2,3)13-7(12)9(4)5-6(10)11;2-1-3;/h7-10,20H,11-16H2,1-6H3;4-6,8,17,25H,7,9-13H2,1-3H3;3-6,15H,7-11H2,1-2H3;5H2,1-4H3,(H,10,11);1H2;/q;;;;;+1/p-1/t20-;17-;15-;;;/m000.../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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 2009.03 g/mol, XLogP of 4.48, 23 rotatable bonds, 1 hydrogen bond donors, and 35 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-(methylamino)acetate;[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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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;dichloromethane;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 160753076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).