2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one

C125H128N20O18 — CID 157468344

About 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one

2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one (PubChem CID 157468344) has the molecular formula C125H128N20O18 and a molecular weight of 2198.52 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one
• PubChem CID: 157468344
• Molecular Formula: C125H128N20O18
• Molecular Weight: 2198.52 g/mol
• Exact Mass: 2196.97
• IUPAC Name: 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one
• SMILES: [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN2C(=O)c3ccccc3C2=O)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN2CCCC2)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCn2ccnc2)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@@H](CCO)N1c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C30H26N4O5.C26H30N4O3.C25H25N5O3.C22H24N4O3.C22H23N3O4/c1-38-19-14-18(15-20(16-19)39-2)34-25(11-12-33-29(36)21-8-4-5-9-22(21)30(33)37)27(35)26(28(34)31)24-13-17-7-3-6-10-23(17)32-24;1-32-19-14-18(15-20(16-19)33-2)30-23(9-12-29-10-5-6-11-29)25(31)24(26(30)27)22-13-17-7-3-4-8-21(17)28-22;1-32-18-12-17(13-19(14-18)33-2)30-22(7-9-29-10-8-27-15-29)24(31)23(25(30)26)21-11-16-5-3-4-6-20(16)28-21;1-28-15-10-14(11-16(12-15)29-2)26-19(7-8-23)21(27)20(22(26)24)18-9-13-5-3-4-6-17(13)25-18;1-28-15-10-14(11-16(12-15)29-2)25-19(7-8-26)21(27)20(22(25)23)18-9-13-5-3-4-6-17(13)24-18/h3-10,14-16,25,31-32H,11-13H2,1-2H3;3-4,7-8,14-16,23,27-28H,5-6,9-13H2,1-2H3;3-6,8,10,12-15,22,26,28H,7,9,11H2,1-2H3;3-6,10-12,19,24-25H,7-9,23H2,1-2H3;3-6,10-12,19,23-24,26H,7-9H2,1-2H3/b26-24?,31-28-;24-22?,27-26-;23-21?,26-25-;20-18?,24-22-;20-18?,23-22-/t;;;;19-/m....1/s1
• InChIKey: DFGHSSXIZKABLP-KWYAQTBWSA-N
• XLogP: 17.00
• TPSA: 477.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2198.52
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one?

The IUPAC name of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one (CID 157468344) is 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one.

What is the SMILES notation for 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one?

The canonical SMILES for 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one is [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN2C(=O)c3ccccc3C2=O)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN2CCCC2)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCn2ccnc2)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@@H](CCO)N1c1cc(OC)cc(OC)c1.

What is the InChIKey of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one?

The InChIKey is DFGHSSXIZKABLP-KWYAQTBWSA-N. The full InChI is InChI=1S/C30H26N4O5.C26H30N4O3.C25H25N5O3.C22H24N4O3.C22H23N3O4/c1-38-19-14-18(15-20(16-19)39-2)34-25(11-12-33-29(36)21-8-4-5-9-22(21)30(33)37)27(35)26(28(34)31)24-13-17-7-3-6-10-23(17)32-24;1-32-19-14-18(15-20(16-19)33-2)30-23(9-12-29-10-5-6-11-29)25(31)24(26(30)27)22-13-17-7-3-4-8-21(17)28-22;1-32-18-12-17(13-19(14-18)33-2)30-22(7-9-29-10-8-27-15-29)24(31)23(25(30)26)21-11-16-5-3-4-6-20(16)28-21;1-28-15-10-14(11-16(12-15)29-2)26-19(7-8-23)21(27)20(22(26)24)18-9-13-5-3-4-6-17(13)25-18;1-28-15-10-14(11-16(12-15)29-2)25-19(7-8-26)21(27)20(22(25)23)18-9-13-5-3-4-6-17(13)24-18/h3-10,14-16,25,31-32H,11-13H2,1-2H3;3-4,7-8,14-16,23,27-28H,5-6,9-13H2,1-2H3;3-6,8,10,12-15,22,26,28H,7,9,11H2,1-2H3;3-6,10-12,19,24-25H,7-9,23H2,1-2H3;3-6,10-12,19,23-24,26H,7-9H2,1-2H3/b26-24?,31-28-;24-22?,27-26-;23-21?,26-25-;20-18?,24-22-;20-18?,23-22-/t;;;;19-/m....1/s1.

What are the key properties of 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one?

2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one has a molecular weight of 2198.52 g/mol, XLogP of 17.00, 28 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-iminopyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-iminopyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)-5-iminopyrrolidin-3-one;2-[2-[4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-3-oxopyrrolidin-2-yl]ethyl]isoindole-1,3-dione;4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-one is sourced from PubChem (CID 157468344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).