tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

C178H193F6N15O31 — CID 165077018

About tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (PubChem CID 165077018) has the molecular formula C178H193F6N15O31 and a molecular weight of 3152.56 g/mol. Its IUPAC name is tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.

Molecular Properties

• Compound Name: tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
• PubChem CID: 165077018
• Molecular Formula: C178H193F6N15O31
• Molecular Weight: 3152.56 g/mol
• Exact Mass: 3150.39
• IUPAC Name: tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
• SMILES: CC(C)(C)OC(=O)N1CCCC1(C)c1ccc(-c2c3c4c(cc(F)cc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.CC(C)(C)OC(=O)N1CCC[C@@]1(C)c1ccc(-c2c3c4c(cc(F)cc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.CC(C)(C)OC(=O)N1CCC[C@]1(C)c1ccc(-c2c3c4c(cc(F)cc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.COC(=O)c1cc(F)cc2c1c(COC1C(=O)c3ccccc3C1=O)c(-c1ccc(C3(C)CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.C[C@@]1(c2ccc(-c3[nH]c4cc(F)cc5c4c3COCC5=O)cc2)CCCN1.C[C@]1(c2ccc(-c3[nH]c4cc(F)cc5c4c3COCC5=O)cc2)CCCN1
• InChI: InChI=1S/C41H43FN2O9.3C31H36FN3O6.2C22H21FN2O2/c1-39(2,3)52-37(48)43-19-11-18-41(43,7)24-16-14-23(15-17-24)32-29(22-51-35-33(45)26-12-9-10-13-27(26)34(35)46)31-28(36(47)50-8)20-25(42)21-30(31)44(32)38(49)53-40(4,5)6;3*1-29(2,3)40-27(37)34-14-8-13-31(34,7)19-11-9-18(10-12-19)25-22-17-39-33-26(36)21-15-20(32)16-23(24(21)22)35(25)28(38)41-30(4,5)6;2*1-22(7-2-8-24-22)14-5-3-13(4-6-14)21-17-11-27-12-19(26)16-9-15(23)10-18(25-21)20(16)17/h9-10,12-17,20-21,35H,11,18-19,22H2,1-8H3;3*9-12,15-16H,8,13-14,17H2,1-7H3,(H,33,36);2*3-6,9-10,24-25H,2,7-8,11-12H2,1H3/t;2*31-;;2*22-/m.10.10/s1
• InChIKey: ULZMAPSBIHFCJM-UWOFMZPBSA-N
• XLogP: 36.75
• TPSA: 535.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 16
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3152.56
LogP ≤ 5	36.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?

The IUPAC name of tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one (CID 165077018) is tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one.

What is the SMILES notation for tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?

The canonical SMILES for tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is CC(C)(C)OC(=O)N1CCCC1(C)c1ccc(-c2c3c4c(cc(F)cc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.CC(C)(C)OC(=O)N1CCC[C@@]1(C)c1ccc(-c2c3c4c(cc(F)cc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.CC(C)(C)OC(=O)N1CCC[C@]1(C)c1ccc(-c2c3c4c(cc(F)cc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.COC(=O)c1cc(F)cc2c1c(COC1C(=O)c3ccccc3C1=O)c(-c1ccc(C3(C)CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.C[C@@]1(c2ccc(-c3[nH]c4cc(F)cc5c4c3COCC5=O)cc2)CCCN1.C[C@]1(c2ccc(-c3[nH]c4cc(F)cc5c4c3COCC5=O)cc2)CCCN1.

What is the InChIKey of tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?

The InChIKey is ULZMAPSBIHFCJM-UWOFMZPBSA-N. The full InChI is InChI=1S/C41H43FN2O9.3C31H36FN3O6.2C22H21FN2O2/c1-39(2,3)52-37(48)43-19-11-18-41(43,7)24-16-14-23(15-17-24)32-29(22-51-35-33(45)26-12-9-10-13-27(26)34(35)46)31-28(36(47)50-8)20-25(42)21-30(31)44(32)38(49)53-40(4,5)6;3*1-29(2,3)40-27(37)34-14-8-13-31(34,7)19-11-9-18(10-12-19)25-22-17-39-33-26(36)21-15-20(32)16-23(24(21)22)35(25)28(38)41-30(4,5)6;2*1-22(7-2-8-24-22)14-5-3-13(4-6-14)21-17-11-27-12-19(26)16-9-15(23)10-18(25-21)20(16)17/h9-10,12-17,20-21,35H,11,18-19,22H2,1-8H3;3*9-12,15-16H,8,13-14,17H2,1-7H3,(H,33,36);2*3-6,9-10,24-25H,2,7-8,11-12H2,1H3/t;2*31-;;2*22-/m.10.10/s1.

What are the key properties of tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one?

tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one has a molecular weight of 3152.56 g/mol, XLogP of 36.75, 16 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 165077018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).