1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide

C153H174N24O22S — CID 157072014

IUPAC1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1nc(C)n(CCCCCCC2CCC(=O)N2Cc2ccccc2)n1.O=C(NCC1CC1)C(=O)[C@@H]1CCC(=O)N1Cc1ccccc1.O=C(NCC1CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=C(NCCCc1ccncc1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCCc1nccs1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCc1ccncc1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCc1cnccn1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCc1ccccn1)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C21H30N4O.C21H23N3O3.C20H21N3O3.C19H20N4O3.C19H21N3O3S.C19H19N3O3.2C17H20N2O3/c1-17-22-18(2)25(23-17)15-9-4-3-8-12-20-13-14-21(26)24(20)16-19-10-6-5-7-11-19;25-19-9-8-18(24(19)15-17-5-2-1-3-6-17)20(26)21(27)23-12-4-7-16-10-13-22-14-11-16;24-18-7-6-17(23(18)14-16-4-2-1-3-5-16)19(25)20(26)22-13-10-15-8-11-21-12-9-15;24-17-7-6-16(23(17)13-14-4-2-1-3-5-14)18(25)19(26)22-9-8-15-12-20-10-11-21-15;23-17-9-8-15(22(17)13-14-5-2-1-3-6-14)18(24)19(25)21-10-4-7-16-20-11-12-26-16;23-17-10-9-16(22(17)13-14-6-2-1-3-7-14)18(24)19(25)21-12-15-8-4-5-11-20-15;2*20-15-9-8-14(16(21)17(22)18-10-12-6-7-12)19(15)11-13-4-2-1-3-5-13/h5-7,10-11,20H,3-4,8-9,12-16H2,1-2H3;1-3,5-6,10-11,13-14,18H,4,7-9,12,15H2,(H,23,27);1-5,8-9,11-12,17H,6-7,10,13-14H2,(H,22,26);1-5,10-12,16H,6-9,13H2,(H,22,26);1-3,5-6,11-12,15H,4,7-10,13H2,(H,21,25);1-8,11,16H,9-10,12-13H2,(H,21,25);2*1-5,12,14H,6-11H2,(H,18,22)/t;;;;;;2*14-/m......10/s1
InChIKeyACNSUJBQVDPFCG-FSNKYPPCSA-N
MW2733.29 g/mol
LogP14.28
Rot. Bonds57

About 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide

1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 157072014) has the molecular formula C153H174N24O22S and a molecular weight of 2733.29 g/mol. Its IUPAC name is 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID157072014
Molecular FormulaC153H174N24O22S
Molecular Weight2733.29 g/mol
Exact Mass2731.30
IUPAC Name1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1nc(C)n(CCCCCCC2CCC(=O)N2Cc2ccccc2)n1.O=C(NCC1CC1)C(=O)[C@@H]1CCC(=O)N1Cc1ccccc1.O=C(NCC1CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=C(NCCCc1ccncc1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCCc1nccs1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCc1ccncc1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCc1cnccn1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCc1ccccn1)C(=O)C1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C21H30N4O.C21H23N3O3.C20H21N3O3.C19H20N4O3.C19H21N3O3S.C19H19N3O3.2C17H20N2O3/c1-17-22-18(2)25(23-17)15-9-4-3-8-12-20-13-14-21(26)24(20)16-19-10-6-5-7-11-19;25-19-9-8-18(24(19)15-17-5-2-1-3-6-17)20(26)21(27)23-12-4-7-16-10-13-22-14-11-16;24-18-7-6-17(23(18)14-16-4-2-1-3-5-16)19(25)20(26)22-13-10-15-8-11-21-12-9-15;24-17-7-6-16(23(17)13-14-4-2-1-3-5-14)18(25)19(26)22-9-8-15-12-20-10-11-21-15;23-17-9-8-15(22(17)13-14-5-2-1-3-6-14)18(24)19(25)21-10-4-7-16-20-11-12-26-16;23-17-10-9-16(22(17)13-14-6-2-1-3-7-14)18(24)19(25)21-12-15-8-4-5-11-20-15;2*20-15-9-8-14(16(21)17(22)18-10-12-6-7-12)19(15)11-13-4-2-1-3-5-13/h5-7,10-11,20H,3-4,8-9,12-16H2,1-2H3;1-3,5-6,10-11,13-14,18H,4,7-9,12,15H2,(H,23,27);1-5,8-9,11-12,17H,6-7,10,13-14H2,(H,22,26);1-5,10-12,16H,6-9,13H2,(H,22,26);1-3,5-6,11-12,15H,4,7-10,13H2,(H,21,25);1-8,11,16H,9-10,12-13H2,(H,21,25);2*1-5,12,14H,6-11H2,(H,18,22)/t;;;;;;2*14-/m......10/s1
InChIKeyACNSUJBQVDPFCG-FSNKYPPCSA-N
XLogP14.28
TPSA593.72 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds57
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002733.29
LogP ≤ 514.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide with MolForge

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Related Compounds

CID 160389240
CID 160389240
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-phenylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]acetyl]pyrrole-3-carboxamide
CID 157477380
CID 157503772
CID 157503772
CID 157862108
CID 157862108
1,3-thiazol-5-ylmethyl N-[5-[[4-imidazol-1-yl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-pyridin-2-ylpropanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-pyrrol-1-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-(1,2,4-triazol-4-yl)butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 158842935
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 158992644
1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-1-yl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-9-pyridin-2-ylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-pyrrol-1-yldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-(1,2,4-triazol-4-yl)decan-2-yl]carbamate
CID 159595679
1,3-thiazol-5-ylmethyl N-[5-benzyl-10-imidazol-1-yl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-9-pyridin-2-ylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-9-pyridin-3-ylnonan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-pyrrol-1-yldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-7-oxo-1-phenyl-10-(1,2,4-triazol-4-yl)decan-2-yl]carbamate
CID 159974113
(6S)-N-cyclopropyl-5-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-5-azaspiro[2.4]heptane-6-carboxamide;(6S)-5-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(3-methyl-2-pyridinyl)-5-azaspiro[2.4]heptane-6-carboxamide;(6S)-5-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pyridazin-3-yl-5-azaspiro[2.4]heptane-6-carboxamide;(6S)-5-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pyrimidin-4-yl-5-azaspiro[2.4]heptane-6-carboxamide;(3R)-N-hydroxy-3-[(6S)-6-[2-(5-methyl-2-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-5-carbonyl]heptanamide;(3R)-N-hydroxy-3-[(6S)-6-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]-5-azaspiro[2.4]heptane-5-carbonyl]heptanamide
CID 160046438
(2S)-1-[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-2-cyclohexylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 160175886
(2S)-1-[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-2-cyclohexylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 160193612
3-amino-2-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-5H-pyrazolo[4,3-c]pyridin-4-one;3-(3-aminopyrazolo[3,4-b]pyrazin-2-yl)-4-cyclohexyl-1-(1,3-thiazol-2-yl)butan-2-one;3-(3-aminopyrazolo[3,4-b]pyridin-2-yl)-4-cyclohexyl-1-(1,3-thiazol-2-yl)butan-2-one;3-(3-aminopyrazolo[3,4-c]pyridin-2-yl)-4-cyclohexyl-1-(1,3-thiazol-2-yl)butan-2-one;3-(3-aminopyrazolo[3,4-d]pyrimidin-2-yl)-4-cyclohexyl-1-(1,3-thiazol-2-yl)butan-2-one;3-(3-aminopyrazolo[4,3-d]pyrimidin-2-yl)-4-cyclohexyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 160459045

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide (CID 157072014) is 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide is Cc1nc(C)n(CCCCCCC2CCC(=O)N2Cc2ccccc2)n1.O=C(NCC1CC1)C(=O)[C@@H]1CCC(=O)N1Cc1ccccc1.O=C(NCC1CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=C(NCCCc1ccncc1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCCc1nccs1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCc1ccncc1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCCc1cnccn1)C(=O)C1CCC(=O)N1Cc1ccccc1.O=C(NCc1ccccn1)C(=O)C1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is ACNSUJBQVDPFCG-FSNKYPPCSA-N. The full InChI is InChI=1S/C21H30N4O.C21H23N3O3.C20H21N3O3.C19H20N4O3.C19H21N3O3S.C19H19N3O3.2C17H20N2O3/c1-17-22-18(2)25(23-17)15-9-4-3-8-12-20-13-14-21(26)24(20)16-19-10-6-5-7-11-19;25-19-9-8-18(24(19)15-17-5-2-1-3-6-17)20(26)21(27)23-12-4-7-16-10-13-22-14-11-16;24-18-7-6-17(23(18)14-16-4-2-1-3-5-16)19(25)20(26)22-13-10-15-8-11-21-12-9-15;24-17-7-6-16(23(17)13-14-4-2-1-3-5-14)18(25)19(26)22-9-8-15-12-20-10-11-21-15;23-17-9-8-15(22(17)13-14-5-2-1-3-6-14)18(24)19(25)21-10-4-7-16-20-11-12-26-16;23-17-10-9-16(22(17)13-14-6-2-1-3-7-14)18(24)19(25)21-12-15-8-4-5-11-20-15;2*20-15-9-8-14(16(21)17(22)18-10-12-6-7-12)19(15)11-13-4-2-1-3-5-13/h5-7,10-11,20H,3-4,8-9,12-16H2,1-2H3;1-3,5-6,10-11,13-14,18H,4,7-9,12,15H2,(H,23,27);1-5,8-9,11-12,17H,6-7,10,13-14H2,(H,22,26);1-5,10-12,16H,6-9,13H2,(H,22,26);1-3,5-6,11-12,15H,4,7-10,13H2,(H,21,25);1-8,11,16H,9-10,12-13H2,(H,21,25);2*1-5,12,14H,6-11H2,(H,18,22)/t;;;;;;2*14-/m......10/s1.
What are the key properties of 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide?
1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 2733.29 g/mol, XLogP of 14.28, 57 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 157072014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).