1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C148H182BrF4N37O16 — CID 167607931

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C#N)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(Br)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc5c4CCO5)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccnc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C31H39N7O4.C30H36F3N7O3.C30H36N8O3.C29H36BrN7O3.C28H35FN8O3/c1-36-26-9-7-20(16-25(26)34-35-36)18-33-30(40)27-17-21(15-22-5-4-6-28-23(22)11-14-42-28)19-38(27)31(41)24(32)8-10-29(39)37-12-2-3-13-37;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;1-36-26-10-8-22(15-25(26)34-35-36)18-33-29(40)27-16-23(14-20-4-6-21(17-31)7-5-20)19-38(27)30(41)24(32)9-11-28(39)37-12-2-3-13-37;1-35-25-9-7-20(15-24(25)33-34-35)17-32-28(39)26-16-21(13-19-5-4-6-22(30)14-19)18-37(26)29(40)23(31)8-10-27(38)36-11-2-3-12-36;1-35-23-6-4-19(13-22(23)33-34-35)16-32-27(39)24-14-20(12-18-8-9-31-25(29)15-18)17-37(24)28(40)21(30)5-7-26(38)36-10-2-3-11-36/h4-7,9,16,21,24,27H,2-3,8,10-15,17-19,32H2,1H3,(H,33,40);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);4-8,10,15,23-24,27H,2-3,9,11-14,16,18-19,32H2,1H3,(H,33,40);4-7,9,14-15,21,23,26H,2-3,8,10-13,16-18,31H2,1H3,(H,32,39);4,6,8-9,13,15,20-21,24H,2-3,5,7,10-12,14,16-17,30H2,1H3,(H,32,39)
InChIKeyKQIIDPNYEPUCOV-UHFFFAOYSA-N
MW2891.22 g/mol
LogP9.99
Rot. Bonds45

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 167607931) has the molecular formula C148H182BrF4N37O16 and a molecular weight of 2891.22 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID167607931
Molecular FormulaC148H182BrF4N37O16
Molecular Weight2891.22 g/mol
Exact Mass2888.37
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C#N)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(Br)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc5c4CCO5)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccnc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C31H39N7O4.C30H36F3N7O3.C30H36N8O3.C29H36BrN7O3.C28H35FN8O3/c1-36-26-9-7-20(16-25(26)34-35-36)18-33-30(40)27-17-21(15-22-5-4-6-28-23(22)11-14-42-28)19-38(27)31(41)24(32)8-10-29(39)37-12-2-3-13-37;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;1-36-26-10-8-22(15-25(26)34-35-36)18-33-29(40)27-16-23(14-20-4-6-21(17-31)7-5-20)19-38(27)30(41)24(32)9-11-28(39)37-12-2-3-13-37;1-35-25-9-7-20(15-24(25)33-34-35)17-32-28(39)26-16-21(13-19-5-4-6-22(30)14-19)18-37(26)29(40)23(31)8-10-27(38)36-11-2-3-12-36;1-35-23-6-4-19(13-22(23)33-34-35)16-32-27(39)24-14-20(12-18-8-9-31-25(29)15-18)17-37(24)28(40)21(30)5-7-26(38)36-10-2-3-11-36/h4-7,9,16,21,24,27H,2-3,8,10-15,17-19,32H2,1H3,(H,33,40);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);4-8,10,15,23-24,27H,2-3,9,11-14,16,18-19,32H2,1H3,(H,33,40);4-7,9,14-15,21,23,26H,2-3,8,10-13,16-18,31H2,1H3,(H,32,39);4,6,8-9,13,15,20-21,24H,2-3,5,7,10-12,14,16-17,30H2,1H3,(H,32,39)
InChIKeyKQIIDPNYEPUCOV-UHFFFAOYSA-N
XLogP9.99
TPSA678.16 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds45
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002891.22
LogP ≤ 59.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 167607931) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C#N)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(Br)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc5c4CCO5)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccnc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KQIIDPNYEPUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O4.C30H36F3N7O3.C30H36N8O3.C29H36BrN7O3.C28H35FN8O3/c1-36-26-9-7-20(16-25(26)34-35-36)18-33-30(40)27-17-21(15-22-5-4-6-28-23(22)11-14-42-28)19-38(27)31(41)24(32)8-10-29(39)37-12-2-3-13-37;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;1-36-26-10-8-22(15-25(26)34-35-36)18-33-29(40)27-16-23(14-20-4-6-21(17-31)7-5-20)19-38(27)30(41)24(32)9-11-28(39)37-12-2-3-13-37;1-35-25-9-7-20(15-24(25)33-34-35)17-32-28(39)26-16-21(13-19-5-4-6-22(30)14-19)18-37(26)29(40)23(31)8-10-27(38)36-11-2-3-12-36;1-35-23-6-4-19(13-22(23)33-34-35)16-32-27(39)24-14-20(12-18-8-9-31-25(29)15-18)17-37(24)28(40)21(30)5-7-26(38)36-10-2-3-11-36/h4-7,9,16,21,24,27H,2-3,8,10-15,17-19,32H2,1H3,(H,33,40);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);4-8,10,15,23-24,27H,2-3,9,11-14,16,18-19,32H2,1H3,(H,33,40);4-7,9,14-15,21,23,26H,2-3,8,10-13,16-18,31H2,1H3,(H,32,39);4,6,8-9,13,15,20-21,24H,2-3,5,7,10-12,14,16-17,30H2,1H3,(H,32,39).
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 2891.22 g/mol, XLogP of 9.99, 45 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-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-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167607931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).