1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C126H156F6N32O15S — CID 167626575

IUPAC1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NC(=O)Cc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NS(C)(=O)=O)ccc21
InChIInChI=1S/C36H42N8O4.C31H39F3N8O3.C30H37F3N8O3.C29H38N8O5S/c1-42-31-11-9-27(20-30(31)40-41-42)23-38-35(47)32-21-28(19-26-13-15-37-16-14-26)24-44(32)36(48)29(10-12-34(46)43-17-5-6-18-43)39-33(45)22-25-7-3-2-4-8-25;1-40-26-6-4-22(17-25(26)38-39-40)19-37-29(44)27-18-23(16-21-8-11-35-12-9-21)20-42(27)30(45)24(36-13-10-31(32,33)34)5-7-28(43)41-14-2-3-15-41;1-39-25-6-4-21(15-24(25)37-38-39)17-35-28(43)26-16-22(14-20-8-10-34-11-9-20)18-41(26)29(44)23(36-19-30(31,32)33)5-7-27(42)40-12-2-3-13-40;1-35-25-7-5-21(16-24(25)32-34-35)18-31-28(39)26-17-22(15-20-9-11-30-12-10-20)19-37(26)29(40)23(33-43(2,41)42)6-8-27(38)36-13-3-4-14-36/h2-4,7-9,11,13-16,20,28-29,32H,5-6,10,12,17-19,21-24H2,1H3,(H,38,47)(H,39,45);4,6,8-9,11-12,17,23-24,27,36H,2-3,5,7,10,13-16,18-20H2,1H3,(H,37,44);4,6,8-11,15,22-23,26,36H,2-3,5,7,12-14,16-19H2,1H3,(H,35,43);5,7,9-12,16,22-23,26,33H,3-4,6,8,13-15,17-19H2,1-2H3,(H,31,39)
InChIKeyNENBPTCWYKAOEG-UHFFFAOYSA-N
MW2504.90 g/mol
LogP8.44
Rot. Bonds46

About 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 167626575) has the molecular formula C126H156F6N32O15S and a molecular weight of 2504.90 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID167626575
Molecular FormulaC126H156F6N32O15S
Molecular Weight2504.90 g/mol
Exact Mass2503.21
IUPAC Name1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NC(=O)Cc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NS(C)(=O)=O)ccc21
InChIInChI=1S/C36H42N8O4.C31H39F3N8O3.C30H37F3N8O3.C29H38N8O5S/c1-42-31-11-9-27(20-30(31)40-41-42)23-38-35(47)32-21-28(19-26-13-15-37-16-14-26)24-44(32)36(48)29(10-12-34(46)43-17-5-6-18-43)39-33(45)22-25-7-3-2-4-8-25;1-40-26-6-4-22(17-25(26)38-39-40)19-37-29(44)27-18-23(16-21-8-11-35-12-9-21)20-42(27)30(45)24(36-13-10-31(32,33)34)5-7-28(43)41-14-2-3-15-41;1-39-25-6-4-21(15-24(25)37-38-39)17-35-28(43)26-16-22(14-20-8-10-34-11-9-20)18-41(26)29(44)23(36-19-30(31,32)33)5-7-27(42)40-12-2-3-13-40;1-35-25-7-5-21(16-24(25)32-34-35)18-31-28(39)26-17-22(15-20-9-11-30-12-10-20)19-37(26)29(40)23(33-43(2,41)42)6-8-27(38)36-13-3-4-14-36/h2-4,7-9,11,13-16,20,28-29,32H,5-6,10,12,17-19,21-24H2,1H3,(H,38,47)(H,39,45);4,6,8-9,11-12,17,23-24,27,36H,2-3,5,7,10,13-16,18-20H2,1H3,(H,37,44);4,6,8-11,15,22-23,26,36H,2-3,5,7,12-14,16-19H2,1H3,(H,35,43);5,7,9-12,16,22-23,26,33H,3-4,6,8,13-15,17-19H2,1-2H3,(H,31,39)
InChIKeyNENBPTCWYKAOEG-UHFFFAOYSA-N
XLogP8.44
TPSA552.61 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds46
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.90
LogP ≤ 58.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[3-[1-methyl-5-[[[1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]methyl]-6,7-dihydrobenzotriazol-4-yl]phenyl]pyrrolidine-2-carbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554027
(2S,4R)-1-[(2R)-2-(3,3-difluorobutylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554254
N-[2-[4-[(3S)-3-[3-[4-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-oxopropyl]-2-oxopyrrolidin-1-yl]-2,3-difluorophenyl]phenyl]methanesulfonamide;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide;(3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;(3S)-1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methylpyrazin-2-yl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide
CID 159416856
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159699842
(3S)-1-[4-[3-(1-aminoethyl)phenyl]-2,3-difluorophenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[4-[(3S)-3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-oxopropyl]-2-oxopyrrolidin-1-yl]-2,3-difluorophenyl]phenyl]methanesulfonamide;N-[2-[4-[(3S)-3-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide;(3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;(3S)-1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one
CID 160282418
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;4-(2-oxo-1,3-dihydroindol-3-yl)piperazine-1-sulfonamide
CID 160496855
1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-[2-amino-4-[3-(hydroxymethyl)phenyl]butanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-4-(4-methylphenyl)butanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-piperidin-1-ylbutanoyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide
CID 167567656
1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 167584172
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167635763
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(benzylamino)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-(4-fluorophenyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide;molecular hydrogen
CID 167660541
1-[2-(2,2-difluoroethylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 167683979
1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 167709853

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 167626575) is 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NC(=O)Cc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NS(C)(=O)=O)ccc21.
What is the InChIKey of 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is NENBPTCWYKAOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N8O4.C31H39F3N8O3.C30H37F3N8O3.C29H38N8O5S/c1-42-31-11-9-27(20-30(31)40-41-42)23-38-35(47)32-21-28(19-26-13-15-37-16-14-26)24-44(32)36(48)29(10-12-34(46)43-17-5-6-18-43)39-33(45)22-25-7-3-2-4-8-25;1-40-26-6-4-22(17-25(26)38-39-40)19-37-29(44)27-18-23(16-21-8-11-35-12-9-21)20-42(27)30(45)24(36-13-10-31(32,33)34)5-7-28(43)41-14-2-3-15-41;1-39-25-6-4-21(15-24(25)37-38-39)17-35-28(43)26-16-22(14-20-8-10-34-11-9-20)18-41(26)29(44)23(36-19-30(31,32)33)5-7-27(42)40-12-2-3-13-40;1-35-25-7-5-21(16-24(25)32-34-35)18-31-28(39)26-17-22(15-20-9-11-30-12-10-20)19-37(26)29(40)23(33-43(2,41)42)6-8-27(38)36-13-3-4-14-36/h2-4,7-9,11,13-16,20,28-29,32H,5-6,10,12,17-19,21-24H2,1H3,(H,38,47)(H,39,45);4,6,8-9,11-12,17,23-24,27,36H,2-3,5,7,10,13-16,18-20H2,1H3,(H,37,44);4,6,8-11,15,22-23,26,36H,2-3,5,7,12-14,16-19H2,1H3,(H,35,43);5,7,9-12,16,22-23,26,33H,3-4,6,8,13-15,17-19H2,1-2H3,(H,31,39).
What are the key properties of 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 2504.90 g/mol, XLogP of 8.44, 46 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-2-[(2-phenylacetyl)amino]-5-pyrrolidin-1-ylpentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167626575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).