4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen

C157H188F3N33O14 — CID 167618881

IUPAC4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(C(=O)N4CCCC4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccncc4)CN3)C2)cc1.Cc1ccccc1CC1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C2CC(c3ccccc3)CN2)C1.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(C(F)(F)F)c4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C32H33F3N6O2.C32H36N6O2.C31H39N7O4.2C31H35N7O3.5H2/c1-40-28-11-10-21(14-26(28)38-39-40)17-37-30(42)29-15-22(12-20-6-5-9-25(13-20)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-7-3-2-4-8-23;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;1-36-27-10-7-21(14-25(27)34-35-36)17-33-29(39)28-15-22(13-20-5-8-24(42-2)9-6-20)19-38(28)31(41)26-16-23(18-32-26)30(40)37-11-3-4-12-37;1-37-28-8-5-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-3-6-25(41-2)7-4-20)19-38(29)31(40)27-16-24(18-33-27)23-9-11-32-12-10-23;1-37-28-10-7-21(13-26(28)35-36-37)16-34-30(39)29-14-22(12-20-5-8-25(41-2)9-6-20)19-38(29)31(40)27-15-24(18-33-27)23-4-3-11-32-17-23;;;;;/h2-11,13-14,22,24,27,29,36H,12,15-19H2,1H3,(H,37,42);3-13,15,23,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);5-10,14,22-23,26,28,32H,3-4,11-13,15-19H2,1-2H3,(H,33,39);3-12,14,22,24,27,29,33H,13,15-19H2,1-2H3,(H,34,39);3-11,13,17,22,24,27,29,33H,12,14-16,18-19H2,1-2H3,(H,34,39);5*1H
InChIKeyMDNKKHLIWSEMFR-UHFFFAOYSA-N
MW2818.44 g/mol
LogP15.78
Rot. Bonds38

About 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen

4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167618881) has the molecular formula C157H188F3N33O14 and a molecular weight of 2818.44 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167618881
Molecular FormulaC157H188F3N33O14
Molecular Weight2818.44 g/mol
Exact Mass2816.50
IUPAC Name4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(C(=O)N4CCCC4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccncc4)CN3)C2)cc1.Cc1ccccc1CC1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C2CC(c3ccccc3)CN2)C1.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(C(F)(F)F)c4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C32H33F3N6O2.C32H36N6O2.C31H39N7O4.2C31H35N7O3.5H2/c1-40-28-11-10-21(14-26(28)38-39-40)17-37-30(42)29-15-22(12-20-6-5-9-25(13-20)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-7-3-2-4-8-23;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;1-36-27-10-7-21(14-25(27)34-35-36)17-33-29(39)28-15-22(13-20-5-8-24(42-2)9-6-20)19-38(28)31(41)26-16-23(18-32-26)30(40)37-11-3-4-12-37;1-37-28-8-5-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-3-6-25(41-2)7-4-20)19-38(29)31(40)27-16-24(18-33-27)23-9-11-32-12-10-23;1-37-28-10-7-21(13-26(28)35-36-37)16-34-30(39)29-14-22(12-20-5-8-25(41-2)9-6-20)19-38(29)31(40)27-15-24(18-33-27)23-4-3-11-32-17-23;;;;;/h2-11,13-14,22,24,27,29,36H,12,15-19H2,1H3,(H,37,42);3-13,15,23,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);5-10,14,22-23,26,28,32H,3-4,11-13,15-19H2,1-2H3,(H,33,39);3-12,14,22,24,27,29,33H,13,15-19H2,1-2H3,(H,34,39);3-11,13,17,22,24,27,29,33H,12,14-16,18-19H2,1-2H3,(H,34,39);5*1H
InChIKeyMDNKKHLIWSEMFR-UHFFFAOYSA-N
XLogP15.78
TPSA534.53 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002818.44
LogP ≤ 515.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

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
2-[(7R,10R,13S,16S,19S,22R,25S,31S,34S)-7-acetamido-34-carbamoyl-13,16-bis[(5-fluoro-1H-indol-3-yl)methyl]-25-[(4-methoxyphenyl)methyl]-10,31-dimethyl-8,11,14,17,20,23,26,32-octaoxo-22-(3H-pyrrol-4-ylmethyl)-2,3,4,9,12,15,18,24,27,33-decazatetracyclo[34.2.2.12,5.027,31]hentetraconta-1(39),3,5(41),36(40),37-pentaen-19-yl]acetic acid
CID 157086137
2-[(11S,14R,17S,20S,23S,26R,29S,35S,38S)-11-(4-aminobutyl)-38-carbamoyl-17-[(5-fluoro-1H-indol-3-yl)methyl]-20-[(6-fluoro-1H-indol-3-yl)methyl]-29-[(4-methoxyphenyl)methyl]-14,35-dimethyl-9,12,15,18,21,24,27,30,36-nonaoxo-26-(3H-pyrrol-4-ylmethyl)-2,3,4,10,13,16,19,22,28,31,37-undecazatetracyclo[38.2.2.12,5.031,35]pentatetraconta-1(43),3,5(45),40(44),41-pentaen-23-yl]acetic acid
CID 157489903
2-[(9R,12S,15S,18S,21S,24R,27S,33S,36S)-9-acetamido-36-carbamoyl-15,18-bis[(5-fluoro-1H-indol-3-yl)methyl]-27-[(4-methoxyphenyl)methyl]-12,33-dimethyl-10,13,16,19,22,25,28,34-octaoxo-24-(3H-pyrrol-4-ylmethyl)-2,3,4,11,14,17,20,26,29,35-decazatetracyclo[36.2.2.12,5.029,33]tritetraconta-1(41),3,5(43),38(42),39-pentaen-21-yl]acetic acid
CID 158466471
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
2-[(7R,13S,16S,19S,22R,25S,31S,34S)-7-acetamido-34-carbamoyl-13,16-bis[(5-fluoro-1H-indol-3-yl)methyl]-25-[(4-methoxyphenyl)methyl]-31-methyl-8,11,14,17,20,23,26,32-octaoxo-22-(3H-pyrrol-4-ylmethyl)-2,3,4,9,12,15,18,24,27,33-decazatetracyclo[34.2.2.12,5.027,31]hentetraconta-1(39),3,5(41),36(40),37-pentaen-19-yl]acetic acid
CID 158850105
2-[(9S,12S,15R,18S,21R,24S,27R,30S,36S,39S)-9-acetamido-12-(4-aminobutyl)-39-carbamoyl-18,21-bis[(5-fluoro-1H-indol-3-yl)methyl]-30-[(4-methoxyphenyl)methyl]-15,36-dimethyl-10,13,16,19,22,25,28,31,37-nonaoxo-27-(3H-pyrrol-4-ylmethyl)-2,3,4,11,14,17,23,29,32,38-decazatetracyclo[39.2.2.12,5.032,36]hexatetraconta-1(44),3,5(46),41(45),42-pentaen-24-yl]acetic acid
CID 160354562

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen (CID 167618881) is 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(C(=O)N4CCCC4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccncc4)CN3)C2)cc1.Cc1ccccc1CC1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C2CC(c3ccccc3)CN2)C1.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(C(F)(F)F)c4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is MDNKKHLIWSEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N6O2.C32H36N6O2.C31H39N7O4.2C31H35N7O3.5H2/c1-40-28-11-10-21(14-26(28)38-39-40)17-37-30(42)29-15-22(12-20-6-5-9-25(13-20)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-7-3-2-4-8-23;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;1-36-27-10-7-21(14-25(27)34-35-36)17-33-29(39)28-15-22(13-20-5-8-24(42-2)9-6-20)19-38(28)31(41)26-16-23(18-32-26)30(40)37-11-3-4-12-37;1-37-28-8-5-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-3-6-25(41-2)7-4-20)19-38(29)31(40)27-16-24(18-33-27)23-9-11-32-12-10-23;1-37-28-10-7-21(13-26(28)35-36-37)16-34-30(39)29-14-22(12-20-5-8-25(41-2)9-6-20)19-38(29)31(40)27-15-24(18-33-27)23-4-3-11-32-17-23;;;;;/h2-11,13-14,22,24,27,29,36H,12,15-19H2,1H3,(H,37,42);3-13,15,23,26,28,30,33H,14,16-20H2,1-2H3,(H,34,39);5-10,14,22-23,26,28,32H,3-4,11-13,15-19H2,1-2H3,(H,33,39);3-12,14,22,24,27,29,33H,13,15-19H2,1-2H3,(H,34,39);3-11,13,17,22,24,27,29,33H,12,14-16,18-19H2,1-2H3,(H,34,39);5*1H.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2818.44 g/mol, XLogP of 15.78, 38 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)pyrrolidine-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]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167618881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).