tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium

C67H75F2N8O7Y- — CID 157360879

About tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium

tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium (PubChem CID 157360879) has the molecular formula C67H75F2N8O7Y- and a molecular weight of 1231.29 g/mol. Its IUPAC name is tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium.

Molecular Properties

• Compound Name: tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium
• PubChem CID: 157360879
• Molecular Formula: C67H75F2N8O7Y-
• Molecular Weight: 1231.29 g/mol
• Exact Mass: 1230.48
• IUPAC Name: tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium
• SMILES: CC(C)(C)OC(=O)N1C(C2=Nc3cc[c-]cc3C2)[C@H]2CC[C@@H]1C2.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)CC(C4C6CCC(C6)N4C(=O)OC(C)(C)C)=N5)ccc2-3)[nH]1)C(C)C.[Y]
• InChI: InChI=1S/C48H52F2N6O5.C19H23N2O2.Y/c1-25(2)40(54-44(58)60-6)43(57)55-24-47(15-16-47)22-39(55)42-51-23-38(53-42)28-9-13-33-32-12-8-27(19-34(32)48(49,50)35(33)20-28)26-10-14-36-30(17-26)21-37(52-36)41-29-7-11-31(18-29)56(41)45(59)61-46(3,4)5;1-19(2,3)23-18(22)21-14-9-8-13(10-14)17(21)16-11-12-6-4-5-7-15(12)20-16;/h8-10,12-14,17,19-20,23,25,29,31,39-41H,7,11,15-16,18,21-22,24H2,1-6H3,(H,51,53)(H,54,58);5-7,13-14,17H,8-11H2,1-3H3;/q;-1;/t29?,31?,39-,40-,41?;13-,14+,17?;/m00./s1
• InChIKey: HFTQQNDRWGPIEI-ZMIIABEMSA-N
• XLogP: 13.62
• TPSA: 171.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1231.29
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium?

The IUPAC name of tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium (CID 157360879) is tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium.

What is the SMILES notation for tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium?

The canonical SMILES for tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium is CC(C)(C)OC(=O)N1C(C2=Nc3cc[c-]cc3C2)[C@H]2CC[C@@H]1C2.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)CC(C4C6CCC(C6)N4C(=O)OC(C)(C)C)=N5)ccc2-3)[nH]1)C(C)C.[Y].

What is the InChIKey of tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium?

The InChIKey is HFTQQNDRWGPIEI-ZMIIABEMSA-N. The full InChI is InChI=1S/C48H52F2N6O5.C19H23N2O2.Y/c1-25(2)40(54-44(58)60-6)43(57)55-24-47(15-16-47)22-39(55)42-51-23-38(53-42)28-9-13-33-32-12-8-27(19-34(32)48(49,50)35(33)20-28)26-10-14-36-30(17-26)21-37(52-36)41-29-7-11-31(18-29)56(41)45(59)61-46(3,4)5;1-19(2,3)23-18(22)21-14-9-8-13(10-14)17(21)16-11-12-6-4-5-7-15(12)20-16;/h8-10,12-14,17,19-20,23,25,29,31,39-41H,7,11,15-16,18,21-22,24H2,1-6H3,(H,51,53)(H,54,58);5-7,13-14,17H,8-11H2,1-3H3;/q;-1;/t29?,31?,39-,40-,41?;13-,14+,17?;/m00./s1.

What are the key properties of tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium?

tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium has a molecular weight of 1231.29 g/mol, XLogP of 13.62, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[5-[9,9-difluoro-7-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4S)-3-(3,5-dihydroindol-5-id-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;yttrium is sourced from PubChem (CID 157360879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).