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

C126H143F7N28O10 — CID 167635763

IUPAC1-(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
SMILESCn1cc(-c2cccc(CC3CC(C(=O)NCc4ccc5c(c4)nnn5C)N(C(=O)C(N)CCC(=O)N4CCCC4)C3)c2)cn1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C33H41N9O3.C32H33F3N6O2.C31H33FN6O2.C30H36F3N7O3/c1-39-21-26(19-36-39)25-7-5-6-22(15-25)14-24-17-30(32(44)35-18-23-8-10-29-28(16-23)37-38-40(29)2)42(20-24)33(45)27(34)9-11-31(43)41-12-3-4-13-41;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)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-38-25-10-6-20(15-24(25)36-37-38)17-35-28(42)26-16-21(14-19-4-7-22(8-5-19)30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39/h5-8,10,15-16,19,21,24,27,30H,3-4,9,11-14,17-18,20,34H2,1-2H3,(H,35,44);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42)
InChIKeyOLLJTFNXQNKXCK-UHFFFAOYSA-N
MW2342.70 g/mol
LogP12.51
Rot. Bonds33

About 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

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 (PubChem CID 167635763) has the molecular formula C126H143F7N28O10 and a molecular weight of 2342.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID167635763
Molecular FormulaC126H143F7N28O10
Molecular Weight2342.70 g/mol
Exact Mass2341.14
IUPAC Name1-(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
SMILESCn1cc(-c2cccc(CC3CC(C(=O)NCc4ccc5c(c4)nnn5C)N(C(=O)C(N)CCC(=O)N4CCCC4)C3)c2)cn1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C33H41N9O3.C32H33F3N6O2.C31H33FN6O2.C30H36F3N7O3/c1-39-21-26(19-36-39)25-7-5-6-22(15-25)14-24-17-30(32(44)35-18-23-8-10-29-28(16-23)37-38-40(29)2)42(20-24)33(45)27(34)9-11-31(43)41-12-3-4-13-41;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)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-38-25-10-6-20(15-24(25)36-37-38)17-35-28(42)26-16-21(14-19-4-7-22(8-5-19)30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39/h5-8,10,15-16,19,21,24,27,30H,3-4,9,11-14,17-18,20,34H2,1-2H3,(H,35,44);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42)
InChIKeyOLLJTFNXQNKXCK-UHFFFAOYSA-N
XLogP12.51
TPSA455.02 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002342.70
LogP ≤ 512.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 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 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
1-[3-[2-(Dimethylamino)ethylamino]-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[3-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-[methyl(2-pyrrolidin-1-ylethyl)amino]-5-(trifluoromethyl)phenyl]ethanone;2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]-1-[3-(2-pyrrolidin-1-ylethylamino)-5-(trifluoromethyl)phenyl]ethanone
CID 157450663
N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2R)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3,3-difluorobutyl)-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;N-(3,3-difluorobutyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(2-methylpropyl)-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269990
2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine
CID 158350406
CID 158425200
CID 158425200
N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide
CID 158710382
2,2-difluoro-N-[(3S)-1-[1-[(1-methylpyrazol-3-yl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-[(1-methylpyrazol-3-yl)methyl]indazole;methanamine
CID 158772501
5-[2-[(1S)-1-[2-(3-acetylindazol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159008446
N-[3-[(cyclopropylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 159199539
N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 159423316
1'-Cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 159693164
2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(2-fluorophenyl)methyl]-5-iodoindazole;methanamine
CID 160863189

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(-c2cccc(CC3CC(C(=O)NCc4ccc5c(c4)nnn5C)N(C(=O)C(N)CCC(=O)N4CCCC4)C3)c2)cn1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.
What is the InChIKey of 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?
The InChIKey is OLLJTFNXQNKXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N9O3.C32H33F3N6O2.C31H33FN6O2.C30H36F3N7O3/c1-39-21-26(19-36-39)25-7-5-6-22(15-25)14-24-17-30(32(44)35-18-23-8-10-29-28(16-23)37-38-40(29)2)42(20-24)33(45)27(34)9-11-31(43)41-12-3-4-13-41;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)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-38-25-10-6-20(15-24(25)36-37-38)17-35-28(42)26-16-21(14-19-4-7-22(8-5-19)30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39/h5-8,10,15-16,19,21,24,27,30H,3-4,9,11-14,17-18,20,34H2,1-2H3,(H,35,44);2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42).
What are the key properties of 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?
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 has a molecular weight of 2342.70 g/mol, XLogP of 12.51, 33 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167635763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).