N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide

C155H170F3N25O27 — CID 163602053

About N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide

N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 163602053) has the molecular formula C155H170F3N25O27 and a molecular weight of 2872.21 g/mol. Its IUPAC name is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
• PubChem CID: 163602053
• Molecular Formula: C155H170F3N25O27
• Molecular Weight: 2872.21 g/mol
• Exact Mass: 2870.27
• IUPAC Name: N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
• SMILES: CC(C)(C)OC1CC(C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)N(C(=O)c2cc3ccccc3[nH]2)C1.CC1(C)CC(C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)N(C(=O)c2cc3ccccc3[nH]2)C1.COC1CC(C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)N(C(=O)c2cc3ccccc3[nH]2)C1.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C(F)(F)F)CN1C(=O)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2ccccc2[nH]1
• InChI: InChI=1S/C33H39N5O6.C31H33N5O5.C31H35N5O5.C30H30F3N5O5.C30H33N5O6/c1-33(2,3)44-23-17-27(38(19-23)32(43)26-15-21-11-7-8-12-24(21)36-26)30(41)37-25(16-22-13-14-34-29(22)40)28(39)31(42)35-18-20-9-5-4-6-10-20;37-26(29(40)33-17-19-6-2-1-3-7-19)23(15-21-10-13-32-27(21)38)35-28(39)25-16-31(11-12-31)18-36(25)30(41)24-14-20-8-4-5-9-22(20)34-24;1-31(2)16-25(36(18-31)30(41)24-14-20-10-6-7-11-22(20)34-24)28(39)35-23(15-21-12-13-32-27(21)38)26(37)29(40)33-17-19-8-4-3-5-9-19;31-30(32,33)20-14-24(38(16-20)29(43)23-12-18-8-4-5-9-21(18)36-23)27(41)37-22(13-19-10-11-34-26(19)40)25(39)28(42)35-15-17-6-2-1-3-7-17;1-41-21-15-25(35(17-21)30(40)24-13-19-9-5-6-10-22(19)33-24)28(38)34-23(14-20-11-12-31-27(20)37)26(36)29(39)32-16-18-7-3-2-4-8-18/h4-12,15,22-23,25,27,36H,13-14,16-19H2,1-3H3,(H,34,40)(H,35,42)(H,37,41);1-9,14,21,23,25,34H,10-13,15-18H2,(H,32,38)(H,33,40)(H,35,39);3-11,14,21,23,25,34H,12-13,15-18H2,1-2H3,(H,32,38)(H,33,40)(H,35,39);1-9,12,19-20,22,24,36H,10-11,13-16H2,(H,34,40)(H,35,42)(H,37,41);2-10,13,20-21,23,25,33H,11-12,14-17H2,1H3,(H,31,37)(H,32,39)(H,34,38)
• InChIKey: GYMQUZPAQZYRBK-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 720.81 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 27
• Rotatable Bonds: 47
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2872.21
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 163602053) is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide is CC(C)(C)OC1CC(C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)N(C(=O)c2cc3ccccc3[nH]2)C1.CC1(C)CC(C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)N(C(=O)c2cc3ccccc3[nH]2)C1.COC1CC(C(=O)NC(CC2CCNC2=O)C(=O)C(=O)NCc2ccccc2)N(C(=O)c2cc3ccccc3[nH]2)C1.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C(F)(F)F)CN1C(=O)c1cc2ccccc2[nH]1.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2ccccc2[nH]1.

What is the InChIKey of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?

The InChIKey is GYMQUZPAQZYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O6.C31H33N5O5.C31H35N5O5.C30H30F3N5O5.C30H33N5O6/c1-33(2,3)44-23-17-27(38(19-23)32(43)26-15-21-11-7-8-12-24(21)36-26)30(41)37-25(16-22-13-14-34-29(22)40)28(39)31(42)35-18-20-9-5-4-6-10-20;37-26(29(40)33-17-19-6-2-1-3-7-19)23(15-21-10-13-32-27(21)38)35-28(39)25-16-31(11-12-31)18-36(25)30(41)24-14-20-8-4-5-9-22(20)34-24;1-31(2)16-25(36(18-31)30(41)24-14-20-10-6-7-11-22(20)34-24)28(39)35-23(15-21-12-13-32-27(21)38)26(37)29(40)33-17-19-8-4-3-5-9-19;31-30(32,33)20-14-24(38(16-20)29(43)23-12-18-8-4-5-9-21(18)36-23)27(41)37-22(13-19-10-11-34-26(19)40)25(39)28(42)35-15-17-6-2-1-3-7-17;1-41-21-15-25(35(17-21)30(40)24-13-19-9-5-6-10-22(19)33-24)28(38)34-23(14-20-11-12-31-27(20)37)26(36)29(39)32-16-18-7-3-2-4-8-18/h4-12,15,22-23,25,27,36H,13-14,16-19H2,1-3H3,(H,34,40)(H,35,42)(H,37,41);1-9,14,21,23,25,34H,10-13,15-18H2,(H,32,38)(H,33,40)(H,35,39);3-11,14,21,23,25,34H,12-13,15-18H2,1-2H3,(H,32,38)(H,33,40)(H,35,39);1-9,12,19-20,22,24,36H,10-11,13-16H2,(H,34,40)(H,35,42)(H,37,41);2-10,13,20-21,23,25,33H,11-12,14-17H2,1H3,(H,31,37)(H,32,39)(H,34,38).

What are the key properties of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?

N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 2872.21 g/mol, XLogP of 10.58, 47 rotatable bonds, 20 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4,4-dimethylpyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-methoxypyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-1-(1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163602053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).