4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C166H176F5N33O12 — CID 167616432

IUPAC4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4C)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cccnc5)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cn[nH]c5)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(F)cc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(OC(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C36H37N7O2.C34H36N8O2.C33H38N6O3.C32H33F3N6O3.C31H32F2N6O2/c1-42-33-14-11-25(17-31(33)40-41-42)20-39-35(44)34-18-26(16-24-9-12-28(13-10-24)29-8-5-15-37-21-29)23-43(34)36(45)32-19-30(22-38-32)27-6-3-2-4-7-27;1-41-31-12-9-23(14-29(31)39-40-41)17-36-33(43)32-15-24(13-22-7-10-26(11-8-22)28-19-37-38-20-28)21-42(32)34(44)30-16-27(18-35-30)25-5-3-2-4-6-25;1-21-6-4-5-7-27(21)25-17-29(34-19-25)33(41)39-20-24(14-22-8-11-26(42-3)12-9-22)16-31(39)32(40)35-18-23-10-13-30-28(15-23)36-37-38(30)2;1-40-28-12-9-21(14-26(28)38-39-40)17-37-30(42)29-15-22(13-20-7-10-25(11-8-20)44-32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-38-28-10-7-19(12-26(28)36-37-38)16-35-30(40)29-13-20(11-22-8-9-24(32)15-25(22)33)18-39(29)31(41)27-14-23(17-34-27)21-5-3-2-4-6-21/h2-15,17,21,26,30,32,34,38H,16,18-20,22-23H2,1H3,(H,39,44);2-12,14,19-20,24,27,30,32,35H,13,15-18,21H2,1H3,(H,36,43)(H,37,38);4-13,15,24-25,29,31,34H,14,16-20H2,1-3H3,(H,35,40);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-10,12,15,20,23,27,29,34H,11,13-14,16-18H2,1H3,(H,35,40)
InChIKeyLUSJLPJCDDILJG-UHFFFAOYSA-N
MW2920.44 g/mol
LogP18.90
Rot. Bonds39

About 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 167616432) has the molecular formula C166H176F5N33O12 and a molecular weight of 2920.44 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID167616432
Molecular FormulaC166H176F5N33O12
Molecular Weight2920.44 g/mol
Exact Mass2918.41
IUPAC Name4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4C)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cccnc5)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cn[nH]c5)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(F)cc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(OC(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C36H37N7O2.C34H36N8O2.C33H38N6O3.C32H33F3N6O3.C31H32F2N6O2/c1-42-33-14-11-25(17-31(33)40-41-42)20-39-35(44)34-18-26(16-24-9-12-28(13-10-24)29-8-5-15-37-21-29)23-43(34)36(45)32-19-30(22-38-32)27-6-3-2-4-7-27;1-41-31-12-9-23(14-29(31)39-40-41)17-36-33(43)32-15-24(13-22-7-10-26(11-8-22)28-19-37-38-20-28)21-42(32)34(44)30-16-27(18-35-30)25-5-3-2-4-6-25;1-21-6-4-5-7-27(21)25-17-29(34-19-25)33(41)39-20-24(14-22-8-11-26(42-3)12-9-22)16-31(39)32(40)35-18-23-10-13-30-28(15-23)36-37-38(30)2;1-40-28-12-9-21(14-26(28)38-39-40)17-37-30(42)29-15-22(13-20-7-10-25(11-8-20)44-32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-38-28-10-7-19(12-26(28)36-37-38)16-35-30(40)29-13-20(11-22-8-9-24(32)15-25(22)33)18-39(29)31(41)27-14-23(17-34-27)21-5-3-2-4-6-21/h2-15,17,21,26,30,32,34,38H,16,18-20,22-23H2,1H3,(H,39,44);2-12,14,19-20,24,27,30,32,35H,13,15-18,21H2,1H3,(H,36,43)(H,37,38);4-13,15,24-25,29,31,34H,14,16-20H2,1-3H3,(H,35,40);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-10,12,15,20,23,27,29,34H,11,13-14,16-18H2,1H3,(H,35,40)
InChIKeyLUSJLPJCDDILJG-UHFFFAOYSA-N
XLogP18.90
TPSA520.78 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds39
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002920.44
LogP ≤ 518.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[5-[1-[4-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]butyl-methylamino]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088519
N-[5-[1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137103195
N-[[1-[[2-[5-[4-[(4-bromophenyl)methyl]-2-[(1-methylbenzotriazol-5-yl)methylcarbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]phenyl]methyl]benzotriazol-5-yl]methyl]-4-[(4-methoxyphenyl)methyl]-1-[4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553416
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 145254115
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[4-(trifluoromethyl)pyridin-3-yl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 153347134
(2S)-2-acetamido-3-(5-fluoro-1H-indol-3-yl)-N-[[(18S,24S,27S,30S,36S)-41-fluoro-24-[(4-methoxyphenyl)methyl]-18,27-dimethyl-17,23,26,29,35-pentaoxo-13-thia-1,4,5,6,16,22,25,28,34-nonazaheptacyclo[36.6.1.13,6.17,11.018,22.030,34.039,44]heptatetraconta-3(47),4,7,9,11(46),38(45),39(44),40,42-nonaen-36-yl]methyl]propanamide
CID 153379141
(E)-7-[[5-[(Z)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]-2-pyridinyl]oxy]-1-pyrrolidin-1-ylhept-2-en-1-one;N-methyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;1-pyrrolidin-1-yl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptan-1-one;1-pyrrolidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptan-1-one;1-pyrrolidin-1-yl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptan-1-one
CID 157637759
7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methyl-N-propylheptanamide;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propylhept-2-enamide;(E)-8-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-N-methyl-N-propyloct-2-enamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-1-piperidin-1-ylhept-2-en-1-one;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide
CID 158868859
N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one
CID 159805966
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 162613351
N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-fluoro-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-3-methoxy-5-(3-methyl-2H-indazol-5-yl)benzamide;N-[2-amino-1-(3-methylphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide;4-(3-methyl-2H-indazol-5-yl)-N-[3-(3-methylphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 165006047
1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163466

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 167616432) is 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4C)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cccnc5)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cn[nH]c5)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(F)cc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(OC(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LUSJLPJCDDILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N7O2.C34H36N8O2.C33H38N6O3.C32H33F3N6O3.C31H32F2N6O2/c1-42-33-14-11-25(17-31(33)40-41-42)20-39-35(44)34-18-26(16-24-9-12-28(13-10-24)29-8-5-15-37-21-29)23-43(34)36(45)32-19-30(22-38-32)27-6-3-2-4-7-27;1-41-31-12-9-23(14-29(31)39-40-41)17-36-33(43)32-15-24(13-22-7-10-26(11-8-22)28-19-37-38-20-28)21-42(32)34(44)30-16-27(18-35-30)25-5-3-2-4-6-25;1-21-6-4-5-7-27(21)25-17-29(34-19-25)33(41)39-20-24(14-22-8-11-26(42-3)12-9-22)16-31(39)32(40)35-18-23-10-13-30-28(15-23)36-37-38(30)2;1-40-28-12-9-21(14-26(28)38-39-40)17-37-30(42)29-15-22(13-20-7-10-25(11-8-20)44-32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-38-28-10-7-19(12-26(28)36-37-38)16-35-30(40)29-13-20(11-22-8-9-24(32)15-25(22)33)18-39(29)31(41)27-14-23(17-34-27)21-5-3-2-4-6-21/h2-15,17,21,26,30,32,34,38H,16,18-20,22-23H2,1H3,(H,39,44);2-12,14,19-20,24,27,30,32,35H,13,15-18,21H2,1H3,(H,36,43)(H,37,38);4-13,15,24-25,29,31,34H,14,16-20H2,1-3H3,(H,35,40);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-10,12,15,20,23,27,29,34H,11,13-14,16-18H2,1H3,(H,35,40).
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 2920.44 g/mol, XLogP of 18.90, 39 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167616432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).