methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate

C186H209F3N24O20 — CID 161048328

IUPACmethyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@@H]5C6CCC(C6)[C@H]5C(=O)N[C@H](C)c5cccnc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)NCc5cccnc5C(F)(F)F)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)NCc5cncc(C(C)C)c5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)N[C@H](C)c5cccnc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC
InChIInChI=1S/C48H56N6O5.C46H49F3N6O5.2C46H52N6O5/c1-28(2)37-19-30(23-49-25-37)24-52-47(56)45-36-17-16-35(20-36)44(45)40-21-38(26-50-40)33-10-8-31(9-11-33)32-12-14-34(15-13-32)41-27-51-46(53-41)42-7-6-18-54(42)48(57)39(29(3)58-4)22-43(55)59-5;1-26(59-2)35(22-39(56)60-3)45(58)55-19-5-7-38(55)43-52-25-37(54-43)30-14-12-28(13-15-30)27-8-10-29(11-9-27)34-21-36(51-24-34)40-31-16-17-32(20-31)41(40)44(57)53-23-33-6-4-18-50-42(33)46(47,48)49;2*1-27(35-7-5-19-47-24-35)50-45(54)43-34-18-17-33(21-34)42(43)38-22-36(25-48-38)31-11-9-29(10-12-31)30-13-15-32(16-14-30)39-26-49-44(51-39)40-8-6-20-52(40)46(55)37(28(2)56-3)23-41(53)57-4/h8-15,19,23,25-29,35-36,39,42,44-45H,6-7,16-18,20-22,24H2,1-5H3,(H,51,53)(H,52,56);4,6,8-15,18,24-26,31-32,35,38,40-41H,5,7,16-17,19-23H2,1-3H3,(H,52,54)(H,53,57);2*5,7,9-16,19,24-28,33-34,37,40,42-43H,6,8,17-18,20-23H2,1-4H3,(H,49,51)(H,50,54)/t29-,35?,36?,39+,42+,44-,45+;26-,31?,32?,35+,38+,40-,41+;27-,28-,33?,34?,37+,40+,42+,43-;27-,28-,33?,34?,37+,40+,42-,43+/m1111/s1
InChIKeyUBUISOOWQHGIMA-UOPNQCSYSA-N
MW3157.86 g/mol
LogP31.99
Rot. Bonds53

About methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate

methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate (PubChem CID 161048328) has the molecular formula C186H209F3N24O20 and a molecular weight of 3157.86 g/mol. Its IUPAC name is methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate.

Molecular Properties

Compound Namemethyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate
PubChem CID161048328
Molecular FormulaC186H209F3N24O20
Molecular Weight3157.86 g/mol
Exact Mass3155.60
IUPAC Namemethyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@@H]5C6CCC(C6)[C@H]5C(=O)N[C@H](C)c5cccnc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)NCc5cccnc5C(F)(F)F)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)NCc5cncc(C(C)C)c5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)N[C@H](C)c5cccnc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC
InChIInChI=1S/C48H56N6O5.C46H49F3N6O5.2C46H52N6O5/c1-28(2)37-19-30(23-49-25-37)24-52-47(56)45-36-17-16-35(20-36)44(45)40-21-38(26-50-40)33-10-8-31(9-11-33)32-12-14-34(15-13-32)41-27-51-46(53-41)42-7-6-18-54(42)48(57)39(29(3)58-4)22-43(55)59-5;1-26(59-2)35(22-39(56)60-3)45(58)55-19-5-7-38(55)43-52-25-37(54-43)30-14-12-28(13-15-30)27-8-10-29(11-9-27)34-21-36(51-24-34)40-31-16-17-32(20-31)41(40)44(57)53-23-33-6-4-18-50-42(33)46(47,48)49;2*1-27(35-7-5-19-47-24-35)50-45(54)43-34-18-17-33(21-34)42(43)38-22-36(25-48-38)31-11-9-29(10-12-31)30-13-15-32(16-14-30)39-26-49-44(51-39)40-8-6-20-52(40)46(55)37(28(2)56-3)23-41(53)57-4/h8-15,19,23,25-29,35-36,39,42,44-45H,6-7,16-18,20-22,24H2,1-5H3,(H,51,53)(H,52,56);4,6,8-15,18,24-26,31-32,35,38,40-41H,5,7,16-17,19-23H2,1-3H3,(H,52,54)(H,53,57);2*5,7,9-16,19,24-28,33-34,37,40,42-43H,6,8,17-18,20-23H2,1-4H3,(H,49,51)(H,50,54)/t29-,35?,36?,39+,42+,44-,45+;26-,31?,32?,35+,38+,40-,41+;27-,28-,33?,34?,37+,40+,42+,43-;27-,28-,33?,34?,37+,40+,42-,43+/m1111/s1
InChIKeyUBUISOOWQHGIMA-UOPNQCSYSA-N
XLogP31.99
TPSA555.48 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds53
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003157.86
LogP ≤ 531.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate
CID 159097345
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[(2-cyclopropyl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 157304117
methyl (3S,4R)-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(3-chloropyrazin-2-yl)amino]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-4-methoxypentanoate
CID 162097589
methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(2R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 130401365
methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(1S,2R,3R,4R)-3-(pyridin-3-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 130401411
methyl (3S,4R)-4-methoxy-3-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(1S,3R)-3-(methoxycarbonylamino)cyclopentanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]pentanoate
CID 58490446
methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(2R)-3-[(2-methylsulfanyl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 130401584
methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 130401442
methyl N-[(2S,3R)-1-[(2S)-2-[4-[4-[4-[2-[(3S)-3-[(4-aminophenyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(furan-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-(2-hydroxyethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(6-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-[(2-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 157343684
methyl N-[(2S,3R)-1-[(2S)-2-[5-[4-[4-[2-[(3S)-3-[(2-cyclopropyl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 130401879
methyl (3S)-4-methyl-3-[(2S)-2-[4-[4-[4-[2-[(1S,2R,3R,4R)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]pentanoate
CID 157127192
methyl N-[(2S,3R)-3-methoxy-1-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(2-methoxy-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 130401744

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate?
The IUPAC name of methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate (CID 161048328) is methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate.
What is the SMILES notation for methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate?
The canonical SMILES for methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate is COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@@H]5C6CCC(C6)[C@H]5C(=O)N[C@H](C)c5cccnc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)NCc5cccnc5C(F)(F)F)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)NCc5cncc(C(C)C)c5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.COC(=O)C[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(C4=CN=C([C@H]5C6CCC(C6)[C@@H]5C(=O)N[C@H](C)c5cccnc5)C4)cc3)cc2)[nH]1)[C@@H](C)OC.
What is the InChIKey of methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate?
The InChIKey is UBUISOOWQHGIMA-UOPNQCSYSA-N. The full InChI is InChI=1S/C48H56N6O5.C46H49F3N6O5.2C46H52N6O5/c1-28(2)37-19-30(23-49-25-37)24-52-47(56)45-36-17-16-35(20-36)44(45)40-21-38(26-50-40)33-10-8-31(9-11-33)32-12-14-34(15-13-32)41-27-51-46(53-41)42-7-6-18-54(42)48(57)39(29(3)58-4)22-43(55)59-5;1-26(59-2)35(22-39(56)60-3)45(58)55-19-5-7-38(55)43-52-25-37(54-43)30-14-12-28(13-15-30)27-8-10-29(11-9-27)34-21-36(51-24-34)40-31-16-17-32(20-31)41(40)44(57)53-23-33-6-4-18-50-42(33)46(47,48)49;2*1-27(35-7-5-19-47-24-35)50-45(54)43-34-18-17-33(21-34)42(43)38-22-36(25-48-38)31-11-9-29(10-12-31)30-13-15-32(16-14-30)39-26-49-44(51-39)40-8-6-20-52(40)46(55)37(28(2)56-3)23-41(53)57-4/h8-15,19,23,25-29,35-36,39,42,44-45H,6-7,16-18,20-22,24H2,1-5H3,(H,51,53)(H,52,56);4,6,8-15,18,24-26,31-32,35,38,40-41H,5,7,16-17,19-23H2,1-3H3,(H,52,54)(H,53,57);2*5,7,9-16,19,24-28,33-34,37,40,42-43H,6,8,17-18,20-23H2,1-4H3,(H,49,51)(H,50,54)/t29-,35?,36?,39+,42+,44-,45+;26-,31?,32?,35+,38+,40-,41+;27-,28-,33?,34?,37+,40+,42+,43-;27-,28-,33?,34?,37+,40+,42-,43+/m1111/s1.
What are the key properties of methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate?
methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate has a molecular weight of 3157.86 g/mol, XLogP of 31.99, 53 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[(5-propan-2-yl-3-pyridinyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2R,3R)-3-[[(1R)-1-pyridin-3-ylethyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl (3S,4R)-4-methoxy-3-[(2S)-2-[5-[4-[4-[2-[(2S,3S)-3-[[2-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate is sourced from PubChem (CID 161048328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).