1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium

C199H218Br4ClF10N20O30Y- — CID 158188400

IUPAC1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium
SMILESCC(=O)CC(C(=O)N1C2CCC(C2)C1c1nc2cc[c-]cc2n1C(=O)OC(C)(C)C)C(C)C.COC(=O)CC(C(=O)N1C2CCC(C2)C1C1=Nc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc(C6CC7(CC7)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc3-4)cc2C1)C(C)C.COC(=O)CC(C(=O)N1CC2(CC2)CC1C(=O)OCC(=O)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)n1C(=O)OC(C)(C)C)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)C[C@H]1COO)C(C)C.O=C(CCl)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2.[Y]
InChIInChI=1S/C51H56F2N6O6.C34H37BrF2N4O5.C30H30BrF2NO6.C29H29BrF2N4O3.C26H34N3O4.C15H8BrClF2O.C14H24N2O5.Y/c1-26(2)36(22-43(60)64-5)47(61)59-33-11-7-31(18-33)45(59)40-21-32-17-28(10-14-39(32)55-40)29-8-12-34-35-13-9-30(20-38(35)51(52,53)37(34)19-29)41-24-54-46(56-41)42-23-50(15-16-50)25-58(42)48(62)44(27(3)4)57-49(63)65-6;1-18(2)27(39-30(43)45-6)29(42)40-17-33(11-12-33)15-25(40)28-38-16-26(41(28)31(44)46-32(3,4)5)19-7-9-21-22-10-8-20(35)14-24(22)34(36,37)23(21)13-19;1-16(2)21(12-26(36)39-3)27(37)34-15-29(8-9-29)13-24(34)28(38)40-14-25(35)17-4-6-19-20-7-5-18(31)11-23(20)30(32,33)22(19)10-17;1-15(2)24(35-27(38)39-3)26(37)36-14-28(8-9-28)12-23(36)25-33-13-22(34-25)16-4-6-18-19-7-5-17(30)11-21(19)29(31,32)20(18)10-16;1-15(2)19(13-16(3)30)24(31)28-18-12-11-17(14-18)22(28)23-27-20-9-7-8-10-21(20)29(23)25(32)33-26(4,5)6;16-9-2-4-11-10-3-1-8(14(20)7-17)5-12(10)15(18,19)13(11)6-9;1-9(2)11(15-13(18)20-3)12(17)16-8-14(4-5-14)6-10(16)7-21-19;/h8-10,12-14,17,19-20,24,26-27,31,33,36,42,44-45H,7,11,15-16,18,21-23,25H2,1-6H3,(H,54,56)(H,57,63);7-10,13-14,16,18,25,27H,11-12,15,17H2,1-6H3,(H,39,43);4-7,10-11,16,21,24H,8-9,12-15H2,1-3H3;4-7,10-11,13,15,23-24H,8-9,12,14H2,1-3H3,(H,33,34)(H,35,38);7,9-10,15,17-19,22H,11-14H2,1-6H3;1-6H,7H2;9-11,19H,4-8H2,1-3H3,(H,15,18);/q;;;;-1;;;/t31?,33?,36?,42?,44-,45?;;;;;;10-,11?;/m0.....0./s1
InChIKeyIMQFECKGVFYMHS-OIJFBSAVSA-N
MW4004.00 g/mol
LogP39.85
Rot. Bonds41

About 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium

1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium (PubChem CID 158188400) has the molecular formula C199H218Br4ClF10N20O30Y- and a molecular weight of 4004.00 g/mol. Its IUPAC name is 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium.

Molecular Properties

Compound Name1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium
PubChem CID158188400
Molecular FormulaC199H218Br4ClF10N20O30Y-
Molecular Weight4004.00 g/mol
Exact Mass3997.15
IUPAC Name1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium
SMILESCC(=O)CC(C(=O)N1C2CCC(C2)C1c1nc2cc[c-]cc2n1C(=O)OC(C)(C)C)C(C)C.COC(=O)CC(C(=O)N1C2CCC(C2)C1C1=Nc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc(C6CC7(CC7)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc3-4)cc2C1)C(C)C.COC(=O)CC(C(=O)N1CC2(CC2)CC1C(=O)OCC(=O)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)n1C(=O)OC(C)(C)C)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)C[C@H]1COO)C(C)C.O=C(CCl)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2.[Y]
InChIInChI=1S/C51H56F2N6O6.C34H37BrF2N4O5.C30H30BrF2NO6.C29H29BrF2N4O3.C26H34N3O4.C15H8BrClF2O.C14H24N2O5.Y/c1-26(2)36(22-43(60)64-5)47(61)59-33-11-7-31(18-33)45(59)40-21-32-17-28(10-14-39(32)55-40)29-8-12-34-35-13-9-30(20-38(35)51(52,53)37(34)19-29)41-24-54-46(56-41)42-23-50(15-16-50)25-58(42)48(62)44(27(3)4)57-49(63)65-6;1-18(2)27(39-30(43)45-6)29(42)40-17-33(11-12-33)15-25(40)28-38-16-26(41(28)31(44)46-32(3,4)5)19-7-9-21-22-10-8-20(35)14-24(22)34(36,37)23(21)13-19;1-16(2)21(12-26(36)39-3)27(37)34-15-29(8-9-29)13-24(34)28(38)40-14-25(35)17-4-6-19-20-7-5-18(31)11-23(20)30(32,33)22(19)10-17;1-15(2)24(35-27(38)39-3)26(37)36-14-28(8-9-28)12-23(36)25-33-13-22(34-25)16-4-6-18-19-7-5-17(30)11-21(19)29(31,32)20(18)10-16;1-15(2)19(13-16(3)30)24(31)28-18-12-11-17(14-18)22(28)23-27-20-9-7-8-10-21(20)29(23)25(32)33-26(4,5)6;16-9-2-4-11-10-3-1-8(14(20)7-17)5-12(10)15(18,19)13(11)6-9;1-9(2)11(15-13(18)20-3)12(17)16-8-14(4-5-14)6-10(16)7-21-19;/h8-10,12-14,17,19-20,24,26-27,31,33,36,42,44-45H,7,11,15-16,18,21-23,25H2,1-6H3,(H,54,56)(H,57,63);7-10,13-14,16,18,25,27H,11-12,15,17H2,1-6H3,(H,39,43);4-7,10-11,16,21,24H,8-9,12-15H2,1-3H3;4-7,10-11,13,15,23-24H,8-9,12,14H2,1-3H3,(H,33,34)(H,35,38);7,9-10,15,17-19,22H,11-14H2,1-6H3;1-6H,7H2;9-11,19H,4-8H2,1-3H3,(H,15,18);/q;;;;-1;;;/t31?,33?,36?,42?,44-,45?;;;;;;10-,11?;/m0.....0./s1
InChIKeyIMQFECKGVFYMHS-OIJFBSAVSA-N
XLogP39.85
TPSA613.02 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds41
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004004.00
LogP ≤ 539.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium?
The IUPAC name of 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium (CID 158188400) is 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium.
What is the SMILES notation for 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium?
The canonical SMILES for 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium is CC(=O)CC(C(=O)N1C2CCC(C2)C1c1nc2cc[c-]cc2n1C(=O)OC(C)(C)C)C(C)C.COC(=O)CC(C(=O)N1C2CCC(C2)C1C1=Nc2ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc(C6CC7(CC7)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc3-4)cc2C1)C(C)C.COC(=O)CC(C(=O)N1CC2(CC2)CC1C(=O)OCC(=O)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)n1C(=O)OC(C)(C)C)C(C)C.COC(=O)NC(C(=O)N1CC2(CC2)C[C@H]1COO)C(C)C.O=C(CCl)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2.[Y].
What is the InChIKey of 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium?
The InChIKey is IMQFECKGVFYMHS-OIJFBSAVSA-N. The full InChI is InChI=1S/C51H56F2N6O6.C34H37BrF2N4O5.C30H30BrF2NO6.C29H29BrF2N4O3.C26H34N3O4.C15H8BrClF2O.C14H24N2O5.Y/c1-26(2)36(22-43(60)64-5)47(61)59-33-11-7-31(18-33)45(59)40-21-32-17-28(10-14-39(32)55-40)29-8-12-34-35-13-9-30(20-38(35)51(52,53)37(34)19-29)41-24-54-46(56-41)42-23-50(15-16-50)25-58(42)48(62)44(27(3)4)57-49(63)65-6;1-18(2)27(39-30(43)45-6)29(42)40-17-33(11-12-33)15-25(40)28-38-16-26(41(28)31(44)46-32(3,4)5)19-7-9-21-22-10-8-20(35)14-24(22)34(36,37)23(21)13-19;1-16(2)21(12-26(36)39-3)27(37)34-15-29(8-9-29)13-24(34)28(38)40-14-25(35)17-4-6-19-20-7-5-18(31)11-23(20)30(32,33)22(19)10-17;1-15(2)24(35-27(38)39-3)26(37)36-14-28(8-9-28)12-23(36)25-33-13-22(34-25)16-4-6-18-19-7-5-17(30)11-21(19)29(31,32)20(18)10-16;1-15(2)19(13-16(3)30)24(31)28-18-12-11-17(14-18)22(28)23-27-20-9-7-8-10-21(20)29(23)25(32)33-26(4,5)6;16-9-2-4-11-10-3-1-8(14(20)7-17)5-12(10)15(18,19)13(11)6-9;1-9(2)11(15-13(18)20-3)12(17)16-8-14(4-5-14)6-10(16)7-21-19;/h8-10,12-14,17,19-20,24,26-27,31,33,36,42,44-45H,7,11,15-16,18,21-23,25H2,1-6H3,(H,54,56)(H,57,63);7-10,13-14,16,18,25,27H,11-12,15,17H2,1-6H3,(H,39,43);4-7,10-11,16,21,24H,8-9,12-15H2,1-3H3;4-7,10-11,13,15,23-24H,8-9,12,14H2,1-3H3,(H,33,34)(H,35,38);7,9-10,15,17-19,22H,11-14H2,1-6H3;1-6H,7H2;9-11,19H,4-8H2,1-3H3,(H,15,18);/q;;;;-1;;;/t31?,33?,36?,42?,44-,45?;;;;;;10-,11?;/m0.....0./s1.
What are the key properties of 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium?
1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium has a molecular weight of 4004.00 g/mol, XLogP of 39.85, 41 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone;[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-(4-methoxy-4-oxo-2-propan-2-ylbutanoyl)-5-azaspiro[2.4]heptane-6-carboxylate;tert-butyl 5-(7-bromo-9,9-difluorofluoren-2-yl)-2-[5-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]imidazole-1-carboxylate;tert-butyl 2-[2-(4-oxo-2-propan-2-ylpentanoyl)-2-azabicyclo[2.2.1]heptan-3-yl]-6H-benzimidazol-6-ide-1-carboxylate;methyl N-[1-[6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl 3-[3-[5-[9,9-difluoro-7-[2-[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-carbonyl]-4-methylpentanoate;methyl N-[1-[(6S)-6-(hydroperoxymethyl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;yttrium is sourced from PubChem (CID 158188400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).