5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane

C243H249BBr8F12N18O27Sn — CID 157230602

IUPAC5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)CC([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)OC(C)(C)C)=N5)ccc2-3)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.FC1(F)c2cc(Br)ccc2-c2ccc(Br)cc21.O=C(COC(=O)[C@@H]1CC2(CC2)CN1C(=O)OCc1ccccc1)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2.O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.O=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C48H52F2N6O5.2C31H25BrF2N2O2.C30H24BrF2NO5.C29H29BrF2N4O3.C25H35BN2O4.C13H6Br2F2.C13H6Br2O.C7H13NO4.C4H7O.3C4H9.Sn/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;2*32-22-7-9-24-23-8-6-20(12-25(23)31(33,34)26(24)14-22)21-13-27(35-16-21)28-15-30(10-11-30)18-36(28)29(37)38-17-19-4-2-1-3-5-19;31-20-7-9-22-21-8-6-19(12-23(21)30(32,33)24(22)13-20)26(35)16-38-27(36)25-14-29(10-11-29)17-34(25)28(37)39-15-18-4-2-1-3-5-18;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;1-23(2,3)30-22(29)28-18-10-8-15(13-18)21(28)20-14-16-12-17(9-11-19(16)27-20)26-31-24(4,5)25(6,7)32-26;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;1-4(2)5(6(9)10)8-7(11)12-3;1-3-5-4-2;3*1-3-4-2;/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);2*1-9,12,14,16,28H,10-11,13,15,17-18H2;1-9,12-13,25H,10-11,14-17H2;4-7,10-11,13,15,23-24H,8-9,12,14H2,1-3H3,(H,33,34)(H,35,38);9,11-12,15,18,21H,8,10,13-14H2,1-7H3;1-6H;1-6H;4-5H,1-3H3,(H,8,11)(H,9,10);1,4H2,2H3;3*1,3-4H2,2H3;/t29-,31+,39-,40-,41-;2*28-;25-;23-,24-;15-,18+,21-;;;5-;;;;;/m000000..0...../s1
InChIKeyAUBBZKPFGBACGR-IRYVLHAWSA-N
MW4850.50 g/mol
LogP59.02
Rot. Bonds43

About 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane

5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane (PubChem CID 157230602) has the molecular formula C243H249BBr8F12N18O27Sn and a molecular weight of 4850.50 g/mol. Its IUPAC name is 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

Compound Name5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane
PubChem CID157230602
Molecular FormulaC243H249BBr8F12N18O27Sn
Molecular Weight4850.50 g/mol
Exact Mass4841.11
IUPAC Name5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)CC([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)OC(C)(C)C)=N5)ccc2-3)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.FC1(F)c2cc(Br)ccc2-c2ccc(Br)cc21.O=C(COC(=O)[C@@H]1CC2(CC2)CN1C(=O)OCc1ccccc1)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2.O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.O=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C48H52F2N6O5.2C31H25BrF2N2O2.C30H24BrF2NO5.C29H29BrF2N4O3.C25H35BN2O4.C13H6Br2F2.C13H6Br2O.C7H13NO4.C4H7O.3C4H9.Sn/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;2*32-22-7-9-24-23-8-6-20(12-25(23)31(33,34)26(24)14-22)21-13-27(35-16-21)28-15-30(10-11-30)18-36(28)29(37)38-17-19-4-2-1-3-5-19;31-20-7-9-22-21-8-6-19(12-23(21)30(32,33)24(22)13-20)26(35)16-38-27(36)25-14-29(10-11-29)17-34(25)28(37)39-15-18-4-2-1-3-5-18;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;1-23(2,3)30-22(29)28-18-10-8-15(13-18)21(28)20-14-16-12-17(9-11-19(16)27-20)26-31-24(4,5)25(6,7)32-26;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;1-4(2)5(6(9)10)8-7(11)12-3;1-3-5-4-2;3*1-3-4-2;/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);2*1-9,12,14,16,28H,10-11,13,15,17-18H2;1-9,12-13,25H,10-11,14-17H2;4-7,10-11,13,15,23-24H,8-9,12,14H2,1-3H3,(H,33,34)(H,35,38);9,11-12,15,18,21H,8,10,13-14H2,1-7H3;1-6H;1-6H;4-5H,1-3H3,(H,8,11)(H,9,10);1,4H2,2H3;3*1,3-4H2,2H3;/t29-,31+,39-,40-,41-;2*28-;25-;23-,24-;15-,18+,21-;;;5-;;;;;/m000000..0...../s1
InChIKeyAUBBZKPFGBACGR-IRYVLHAWSA-N
XLogP59.02
TPSA535.54 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004850.50
LogP ≤ 559.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157144132
CID 157144132
potassium;acetic acid;benzyl (6S)-6-[(2-amino-4-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-[(2-amino-5-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-(5-bromo-3H-indol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate;5-O-benzyl 6-O-methyl (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;deuterio(fluoro)methane;ethane;methane;methyl N-[(2S)-1-[(2S,4S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(6S)-6-(5-bromo-3H-indol-2-yl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate;acetate
CID 157223935
CID 157326071
CID 157326071
acetic acid;benzyl (6S)-6-[(2-amino-4-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-[(2-amino-5-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-(5-bromo-3H-indol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate;5-O-benzyl 6-O-methyl (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;deuterio(fluoro)methane;methyl N-[(2S)-1-[(2S,4S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(6S)-6-(5-bromo-3H-indol-2-yl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate
CID 157427460
CID 157547413
CID 157547413
benzyl acetate;benzyl (6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate
CID 157589926
5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane
CID 157669211
5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;bis(2,7-dibromo-9,9-difluorofluorene);methanamine;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane
CID 157712297
CID 157747996
CID 157747996
acetic acid;benzyl (6S)-6-[(2-amino-4-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-[(2-amino-5-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-(6-bromo-1H-benzimidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate;5-O-benzyl 6-O-methyl (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;methyl N-[(2S)-1-[(6S)-6-(6-bromo-1H-benzimidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate
CID 157833824
acetic acid;benzyl (6S)-6-[(2-amino-4-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-[(2-amino-5-bromophenyl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate;benzyl (6S)-6-(5-bromo-3H-indol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate;5-O-benzyl 6-O-methyl (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;deuterio(fluoro)methane;ethane;methane;methyl N-[(2S)-1-[(2S,4S)-2-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(6S)-6-(5-bromo-3H-indol-2-yl)-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate
CID 158029229
bis(benzyl (6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;2-ethoxyprop-1-ene;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid
CID 158033727

Frequently Asked Questions

What is the IUPAC name of 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane?
The IUPAC name of 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane (CID 157230602) is 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane.
What is the SMILES notation for 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane?
The canonical SMILES for 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5c(c4)CC([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)OC(C)(C)C)=N5)ccc2-3)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.FC1(F)c2cc(Br)ccc2-c2ccc(Br)cc21.O=C(COC(=O)[C@@H]1CC2(CC2)CN1C(=O)OCc1ccccc1)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2.O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1C1=NC=C(c2ccc3c(c2)C(F)(F)c2cc(Br)ccc2-3)C1.O=C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane?
The InChIKey is AUBBZKPFGBACGR-IRYVLHAWSA-N. The full InChI is InChI=1S/C48H52F2N6O5.2C31H25BrF2N2O2.C30H24BrF2NO5.C29H29BrF2N4O3.C25H35BN2O4.C13H6Br2F2.C13H6Br2O.C7H13NO4.C4H7O.3C4H9.Sn/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;2*32-22-7-9-24-23-8-6-20(12-25(23)31(33,34)26(24)14-22)21-13-27(35-16-21)28-15-30(10-11-30)18-36(28)29(37)38-17-19-4-2-1-3-5-19;31-20-7-9-22-21-8-6-19(12-23(21)30(32,33)24(22)13-20)26(35)16-38-27(36)25-14-29(10-11-29)17-34(25)28(37)39-15-18-4-2-1-3-5-18;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;1-23(2,3)30-22(29)28-18-10-8-15(13-18)21(28)20-14-16-12-17(9-11-19(16)27-20)26-31-24(4,5)25(6,7)32-26;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16,17)11(9)5-7;14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7;1-4(2)5(6(9)10)8-7(11)12-3;1-3-5-4-2;3*1-3-4-2;/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);2*1-9,12,14,16,28H,10-11,13,15,17-18H2;1-9,12-13,25H,10-11,14-17H2;4-7,10-11,13,15,23-24H,8-9,12,14H2,1-3H3,(H,33,34)(H,35,38);9,11-12,15,18,21H,8,10,13-14H2,1-7H3;1-6H;1-6H;4-5H,1-3H3,(H,8,11)(H,9,10);1,4H2,2H3;3*1,3-4H2,2H3;/t29-,31+,39-,40-,41-;2*28-;25-;23-,24-;15-,18+,21-;;;5-;;;;;/m000000..0...../s1.
What are the key properties of 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane?
5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 4850.50 g/mol, XLogP of 59.02, 43 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-benzyl 6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] (6S)-5-azaspiro[2.4]heptane-5,6-dicarboxylate;bis(benzyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate);tert-butyl (1R,3S,4S)-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,3S,4S)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;2,7-dibromo-9,9-difluorofluorene;2,7-dibromofluoren-9-one;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(6S)-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;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 157230602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).