4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen

C163H184F5N31O11 — CID 167592085

IUPAC4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen
SMILESCc1cccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)c1.Cc1ccccc1CC1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C2CC(c3ccccc3)CN2)C1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cccnc5)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.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C36H37N7O2.C32H33F3N6O3.2C32H36N6O2.C31H32F2N6O2.5H2/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;1-40-28-12-9-21(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;1-21-7-6-8-22(13-21)14-24-16-30(31(39)34-18-23-11-12-29-27(15-23)35-36-37(29)2)38(20-24)32(40)28-17-26(19-33-28)25-9-4-3-5-10-25;1-21-8-6-7-11-25(21)14-23-16-30(31(39)34-18-22-12-13-29-27(15-22)35-36-37(29)2)38(20-23)32(40)28-17-26(19-33-28)24-9-4-3-5-10-24;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);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);3-13,15,24,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);3-13,15,23,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);2-10,12,15,20,23,27,29,34H,11,13-14,16-18H2,1H3,(H,35,40);5*1H
InChIKeyIOIKDEPHDYVJSG-UHFFFAOYSA-N
MW2848.46 g/mol
LogP20.04
Rot. Bonds37

About 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen

4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen (PubChem CID 167592085) has the molecular formula C163H184F5N31O11 and a molecular weight of 2848.46 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;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen
PubChem CID167592085
Molecular FormulaC163H184F5N31O11
Molecular Weight2848.46 g/mol
Exact Mass2846.47
IUPAC Name4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen
SMILESCc1cccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)c1.Cc1ccccc1CC1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C2CC(c3ccccc3)CN2)C1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cccnc5)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.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C36H37N7O2.C32H33F3N6O3.2C32H36N6O2.C31H32F2N6O2.5H2/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;1-40-28-12-9-21(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;1-21-7-6-8-22(13-21)14-24-16-30(31(39)34-18-23-11-12-29-27(15-23)35-36-37(29)2)38(20-24)32(40)28-17-26(19-33-28)25-9-4-3-5-10-25;1-21-8-6-7-11-25(21)14-23-16-30(31(39)34-18-22-12-13-29-27(15-22)35-36-37(29)2)38(20-23)32(40)28-17-26(19-33-28)24-9-4-3-5-10-24;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);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);3-13,15,24,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);3-13,15,23,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);2-10,12,15,20,23,27,29,34H,11,13-14,16-18H2,1H3,(H,35,40);5*1H
InChIKeyIOIKDEPHDYVJSG-UHFFFAOYSA-N
XLogP20.04
TPSA482.87 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002848.46
LogP ≤ 520.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen with MolForge

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Related Compounds

(8R,11S,14R,17S,20S,24S,26S,29S,32S,38S,41S)-8-acetamido-11-(4-aminobutyl)-24-fluoro-17,20-bis[(5-fluoro-1H-indol-3-yl)methyl]-29-[(1S)-1-hydroxyethyl]-32-[(4-methoxyphenyl)methyl]-14,38-dimethyl-9,12,15,18,21,27,30,33,39-nonaoxo-2,3,4,10,13,16,19,22,28,31,34,40-dodecazapentacyclo[41.2.2.12,5.022,26.034,38]octatetraconta-1(46),3,5(48),43(47),44-pentaene-41-carboxamide
CID 159868238
N-[3-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-4-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 129203829
N-[3-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-methyl-3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203830
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
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
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 153347256
(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
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 158639602
4-[[1-(3-Aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-2-one;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-3-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methylphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(4-methylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine
CID 160587445
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-fluorophenyl)indol-1-yl]acetamide;N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide;N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(trifluoromethyl)phenyl]indol-1-yl]acetamide
CID 162073091
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 162613351
(2S,4R)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163425

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;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen (CID 167592085) is 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen.
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;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen is Cc1cccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)c1.Cc1ccccc1CC1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C2CC(c3ccccc3)CN2)C1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(-c5cccnc5)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.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen?
The InChIKey is IOIKDEPHDYVJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N7O2.C32H33F3N6O3.2C32H36N6O2.C31H32F2N6O2.5H2/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;1-40-28-12-9-21(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;1-21-7-6-8-22(13-21)14-24-16-30(31(39)34-18-23-11-12-29-27(15-23)35-36-37(29)2)38(20-24)32(40)28-17-26(19-33-28)25-9-4-3-5-10-25;1-21-8-6-7-11-25(21)14-23-16-30(31(39)34-18-22-12-13-29-27(15-22)35-36-37(29)2)38(20-23)32(40)28-17-26(19-33-28)24-9-4-3-5-10-24;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);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);3-13,15,24,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);3-13,15,23,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);2-10,12,15,20,23,27,29,34H,11,13-14,16-18H2,1H3,(H,35,40);5*1H.
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;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen?
4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen has a molecular weight of 2848.46 g/mol, XLogP of 20.04, 37 rotatable bonds, 10 hydrogen bond donors, and 32 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;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)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 hydrogen is sourced from PubChem (CID 167592085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).