1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide

C196H190F18N24O21 — CID 158704913

IUPAC1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2CCCN2Cc2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CC(=O)CN2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2C(=O)OC(C)(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H]2CC[C@@H](c3ccccc3)N2C(=O)OC(C)(C)C)ccc1F
InChIInChI=1S/C37H37F3N4O5.C37H37F3N4O4.C33H31F3N4O2.C32H29F3N4O3.C31H33F3N4O4.C26H23F3N4O3/c1-37(2,3)49-36(47)44-21-27(48-26-9-6-5-7-10-26)20-32(44)35(46)43-31(17-22-15-24(38)19-25(39)16-22)33-28(11-8-14-42-33)23-12-13-30(40)29(18-23)34(45)41-4;1-37(2,3)48-36(47)44-31(23-9-6-5-7-10-23)14-15-32(44)35(46)43-30(19-22-17-25(38)21-26(39)18-22)33-27(11-8-16-42-33)24-12-13-29(40)28(20-24)34(45)41-4;1-37-32(41)27-18-23(11-12-28(27)36)26-9-5-13-38-31(26)29(17-22-15-24(34)19-25(35)16-22)39-33(42)30-10-6-14-40(30)20-21-7-3-2-4-8-21;1-36-31(40)26-15-20(9-10-27(26)35)25-8-5-11-37-30(25)28(14-19-12-21(33)16-22(34)13-19)39-32(41)29-17-24(18-38-29)42-23-6-3-2-4-7-23;1-31(2,3)42-30(41)38-12-6-8-26(38)29(40)37-25(15-18-13-20(32)17-21(33)14-18)27-22(7-5-11-36-27)19-9-10-24(34)23(16-19)28(39)35-4;1-30-25(35)20-10-15(4-5-21(20)29)19-3-2-6-31-24(19)22(9-14-7-16(27)11-17(28)8-14)33-26(36)23-12-18(34)13-32-23/h5-16,18-19,27,31-32H,17,20-21H2,1-4H3,(H,41,45)(H,43,46);5-13,16-18,20-21,30-32H,14-15,19H2,1-4H3,(H,41,45)(H,43,46);2-5,7-9,11-13,15-16,18-19,29-30H,6,10,14,17,20H2,1H3,(H,37,41)(H,39,42);2-13,15-16,24,28-29,38H,14,17-18H2,1H3,(H,36,40)(H,39,41);5,7,9-11,13-14,16-17,25-26H,6,8,12,15H2,1-4H3,(H,35,39)(H,37,40);2-8,10-11,22-23,32H,9,12-13H2,1H3,(H,30,35)(H,33,36)/t27-,31-,32-;30-,31-,32+;29-,30?;24-,28-,29-;25-,26-;22-,23-/m000000/s1
InChIKeyIHZMGVXKIIRJJJ-CUDIRPQUSA-N
MW3559.79 g/mol
LogP31.96
Rot. Bonds49

About 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide

1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 158704913) has the molecular formula C196H190F18N24O21 and a molecular weight of 3559.79 g/mol. Its IUPAC name is 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide
PubChem CID158704913
Molecular FormulaC196H190F18N24O21
Molecular Weight3559.79 g/mol
Exact Mass3557.42
IUPAC Name1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2CCCN2Cc2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CC(=O)CN2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2C(=O)OC(C)(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H]2CC[C@@H](c3ccccc3)N2C(=O)OC(C)(C)C)ccc1F
InChIInChI=1S/C37H37F3N4O5.C37H37F3N4O4.C33H31F3N4O2.C32H29F3N4O3.C31H33F3N4O4.C26H23F3N4O3/c1-37(2,3)49-36(47)44-21-27(48-26-9-6-5-7-10-26)20-32(44)35(46)43-31(17-22-15-24(38)19-25(39)16-22)33-28(11-8-14-42-33)23-12-13-30(40)29(18-23)34(45)41-4;1-37(2,3)48-36(47)44-31(23-9-6-5-7-10-23)14-15-32(44)35(46)43-30(19-22-17-25(38)21-26(39)18-22)33-27(11-8-16-42-33)24-12-13-29(40)28(20-24)34(45)41-4;1-37-32(41)27-18-23(11-12-28(27)36)26-9-5-13-38-31(26)29(17-22-15-24(34)19-25(35)16-22)39-33(42)30-10-6-14-40(30)20-21-7-3-2-4-8-21;1-36-31(40)26-15-20(9-10-27(26)35)25-8-5-11-37-30(25)28(14-19-12-21(33)16-22(34)13-19)39-32(41)29-17-24(18-38-29)42-23-6-3-2-4-7-23;1-31(2,3)42-30(41)38-12-6-8-26(38)29(40)37-25(15-18-13-20(32)17-21(33)14-18)27-22(7-5-11-36-27)19-9-10-24(34)23(16-19)28(39)35-4;1-30-25(35)20-10-15(4-5-21(20)29)19-3-2-6-31-24(19)22(9-14-7-16(27)11-17(28)8-14)33-26(36)23-12-18(34)13-32-23/h5-16,18-19,27,31-32H,17,20-21H2,1-4H3,(H,41,45)(H,43,46);5-13,16-18,20-21,30-32H,14-15,19H2,1-4H3,(H,41,45)(H,43,46);2-5,7-9,11-13,15-16,18-19,29-30H,6,10,14,17,20H2,1H3,(H,37,41)(H,39,42);2-13,15-16,24,28-29,38H,14,17-18H2,1H3,(H,36,40)(H,39,41);5,7,9-11,13-14,16-17,25-26H,6,8,12,15H2,1-4H3,(H,35,39)(H,37,40);2-8,10-11,22-23,32H,9,12-13H2,1H3,(H,30,35)(H,33,36)/t27-,31-,32-;30-,31-,32+;29-,30?;24-,28-,29-;25-,26-;22-,23-/m000000/s1
InChIKeyIHZMGVXKIIRJJJ-CUDIRPQUSA-N
XLogP31.96
TPSA577.99 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds49
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003559.79
LogP ≤ 531.96
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Analyze 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide with MolForge

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Related Compounds

tert-butyl (2S,4S)-2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate
CID 71204333
tert-butyl (4S)-2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate
CID 71204545
Tert-butyl 2-[[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate
CID 78035708
tert-butyl 2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate
CID 90150090
tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate
CID 90162440
1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;5-[2-[(1S)-1-[[2-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide
CID 157382262
CID 158245203
CID 158245203
CID 158309969
CID 158309969
(7S)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158611555
N-[1-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]butan-2-yl]benzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-ethoxypyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;bis(N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide);N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-methoxypyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-phenylpyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 158990451
Disodium;2-amino-5-[1-[2-[2-[[3-(4-amino-3-carboxybenzoyl)-2-methylindolizin-1-yl]amino]ethoxy]ethylamino]-2-methylindolizine-3-carbonyl]benzoic acid;2-amino-5-[1-[[3-[2-[[3-[2-[3-[[3-(4-amino-3-carboxybenzoyl)-2-methylindolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]benzoic acid;5-[1-[[3-[2-[[3-[2-[3-[[3-[3-carboxy-4-(trifluoromethoxymethylideneamino)benzoyl]-2-methylindolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid;methane;methyl 2-amino-5-[1-[2-[2-[[3-(4-amino-3-methoxycarbonylbenzoyl)-2-methylindolizin-1-yl]amino]ethoxy]ethylamino]-2-methylindolizine-3-carbonyl]benzoate;dihydroxide
CID 159163945
tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-1-[[2-[7-(difluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-[difluoro(phenoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(2S,4R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide
CID 159229795

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide (CID 158704913) is 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2CCCN2Cc2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CC(=O)CN2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2C[C@H](Oc3ccccc3)CN2C(=O)OC(C)(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H]2CC[C@@H](c3ccccc3)N2C(=O)OC(C)(C)C)ccc1F.
What is the InChIKey of 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is IHZMGVXKIIRJJJ-CUDIRPQUSA-N. The full InChI is InChI=1S/C37H37F3N4O5.C37H37F3N4O4.C33H31F3N4O2.C32H29F3N4O3.C31H33F3N4O4.C26H23F3N4O3/c1-37(2,3)49-36(47)44-21-27(48-26-9-6-5-7-10-26)20-32(44)35(46)43-31(17-22-15-24(38)19-25(39)16-22)33-28(11-8-14-42-33)23-12-13-30(40)29(18-23)34(45)41-4;1-37(2,3)48-36(47)44-31(23-9-6-5-7-10-23)14-15-32(44)35(46)43-30(19-22-17-25(38)21-26(39)18-22)33-27(11-8-16-42-33)24-12-13-29(40)28(20-24)34(45)41-4;1-37-32(41)27-18-23(11-12-28(27)36)26-9-5-13-38-31(26)29(17-22-15-24(34)19-25(35)16-22)39-33(42)30-10-6-14-40(30)20-21-7-3-2-4-8-21;1-36-31(40)26-15-20(9-10-27(26)35)25-8-5-11-37-30(25)28(14-19-12-21(33)16-22(34)13-19)39-32(41)29-17-24(18-38-29)42-23-6-3-2-4-7-23;1-31(2,3)42-30(41)38-12-6-8-26(38)29(40)37-25(15-18-13-20(32)17-21(33)14-18)27-22(7-5-11-36-27)19-9-10-24(34)23(16-19)28(39)35-4;1-30-25(35)20-10-15(4-5-21(20)29)19-3-2-6-31-24(19)22(9-14-7-16(27)11-17(28)8-14)33-26(36)23-12-18(34)13-32-23/h5-16,18-19,27,31-32H,17,20-21H2,1-4H3,(H,41,45)(H,43,46);5-13,16-18,20-21,30-32H,14-15,19H2,1-4H3,(H,41,45)(H,43,46);2-5,7-9,11-13,15-16,18-19,29-30H,6,10,14,17,20H2,1H3,(H,37,41)(H,39,42);2-13,15-16,24,28-29,38H,14,17-18H2,1H3,(H,36,40)(H,39,41);5,7,9-11,13-14,16-17,25-26H,6,8,12,15H2,1-4H3,(H,35,39)(H,37,40);2-8,10-11,22-23,32H,9,12-13H2,1H3,(H,30,35)(H,33,36)/t27-,31-,32-;30-,31-,32+;29-,30?;24-,28-,29-;25-,26-;22-,23-/m000000/s1.
What are the key properties of 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide?
1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 3559.79 g/mol, XLogP of 31.96, 49 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide;tert-butyl (2S,4S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-4-phenoxypyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-oxopyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 158704913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).