1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen

C114H141F7N28O12 — CID 167711288

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cc(F)cc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)F)ccc21.[H][H]
InChIInChI=1S/C30H38F2N8O3.C30H39N7O4.C29H35F2N7O3.C25H27F3N6O2.H2/c1-38-25-6-4-21(15-24(25)36-37-38)17-35-29(42)26-16-22(14-20-8-10-33-11-9-20)19-40(26)30(43)23(34-18-27(31)32)5-7-28(41)39-12-2-3-13-39;1-35-26-11-7-21(16-25(26)33-34-35)18-32-29(39)27-17-22(15-20-5-8-23(41-2)9-6-20)19-37(27)30(40)24(31)10-12-28(38)36-13-3-4-14-36;1-36-25-6-4-18(13-24(25)34-35-36)16-33-28(40)26-14-20(10-19-11-21(30)15-22(31)12-19)17-38(26)29(41)23(32)5-7-27(39)37-8-2-3-9-37;1-33-21-8-7-15(9-19(21)31-32-33)12-30-23(35)22-11-18(25(26,27)28)14-34(22)24(36)20-10-17(13-29-20)16-5-3-2-4-6-16;/h4,6,8-11,15,22-23,26-27,34H,2-3,5,7,12-14,16-19H2,1H3,(H,35,42);5-9,11,16,22,24,27H,3-4,10,12-15,17-19,31H2,1-2H3,(H,32,39);4,6,11-13,15,20,23,26H,2-3,5,7-10,14,16-17,32H2,1H3,(H,33,40);2-9,17-18,20,22,29H,10-14H2,1H3,(H,30,35);1H
InChIKeyZWLPVJNUAFOSBB-UHFFFAOYSA-N
MW2228.55 g/mol
LogP8.66
Rot. Bonds36

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167711288) has the molecular formula C114H141F7N28O12 and a molecular weight of 2228.55 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167711288
Molecular FormulaC114H141F7N28O12
Molecular Weight2228.55 g/mol
Exact Mass2227.12
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cc(F)cc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)F)ccc21.[H][H]
InChIInChI=1S/C30H38F2N8O3.C30H39N7O4.C29H35F2N7O3.C25H27F3N6O2.H2/c1-38-25-6-4-21(15-24(25)36-37-38)17-35-29(42)26-16-22(14-20-8-10-33-11-9-20)19-40(26)30(43)23(34-18-27(31)32)5-7-28(41)39-12-2-3-13-39;1-35-26-11-7-21(16-25(26)33-34-35)18-32-29(39)27-17-22(15-20-5-8-23(41-2)9-6-20)19-37(27)30(40)24(31)10-12-28(38)36-13-3-4-14-36;1-36-25-6-4-18(13-24(25)34-35-36)16-33-28(40)26-14-20(10-19-11-21(30)15-22(31)12-19)17-38(26)29(41)23(32)5-7-27(39)37-8-2-3-9-37;1-33-21-8-7-15(9-19(21)31-32-33)12-30-23(35)22-11-18(25(26,27)28)14-34(22)24(36)20-10-17(13-29-20)16-5-3-2-4-6-16;/h4,6,8-11,15,22-23,26-27,34H,2-3,5,7,12-14,16-19H2,1H3,(H,35,42);5-9,11,16,22,24,27H,3-4,10,12-15,17-19,31H2,1-2H3,(H,32,39);4,6,11-13,15,20,23,26H,2-3,5,7-10,14,16-17,32H2,1H3,(H,33,40);2-9,17-18,20,22,29H,10-14H2,1H3,(H,30,35);1H
InChIKeyZWLPVJNUAFOSBB-UHFFFAOYSA-N
XLogP8.66
TPSA479.63 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002228.55
LogP ≤ 58.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen (CID 167711288) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cc(F)cc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)F)ccc21.[H][H].
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is ZWLPVJNUAFOSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N8O3.C30H39N7O4.C29H35F2N7O3.C25H27F3N6O2.H2/c1-38-25-6-4-21(15-24(25)36-37-38)17-35-29(42)26-16-22(14-20-8-10-33-11-9-20)19-40(26)30(43)23(34-18-27(31)32)5-7-28(41)39-12-2-3-13-39;1-35-26-11-7-21(16-25(26)33-34-35)18-32-29(39)27-17-22(15-20-5-8-23(41-2)9-6-20)19-37(27)30(40)24(31)10-12-28(38)36-13-3-4-14-36;1-36-25-6-4-18(13-24(25)34-35-36)16-33-28(40)26-14-20(10-19-11-21(30)15-22(31)12-19)17-38(26)29(41)23(32)5-7-27(39)37-8-2-3-9-37;1-33-21-8-7-15(9-19(21)31-32-33)12-30-23(35)22-11-18(25(26,27)28)14-34(22)24(36)20-10-17(13-29-20)16-5-3-2-4-6-16;/h4,6,8-11,15,22-23,26-27,34H,2-3,5,7,12-14,16-19H2,1H3,(H,35,42);5-9,11,16,22,24,27H,3-4,10,12-15,17-19,31H2,1-2H3,(H,32,39);4,6,11-13,15,20,23,26H,2-3,5,7-10,14,16-17,32H2,1H3,(H,33,40);2-9,17-18,20,22,29H,10-14H2,1H3,(H,30,35);1H.
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2228.55 g/mol, XLogP of 8.66, 36 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-(2,2-difluoroethylamino)-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-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167711288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).