2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione

C114H124N24O12 — CID 157376806

About 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione

2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione (PubChem CID 157376806) has the molecular formula C114H124N24O12 and a molecular weight of 2022.40 g/mol. Its IUPAC name is 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione.

Molecular Properties

• Compound Name: 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
• PubChem CID: 157376806
• Molecular Formula: C114H124N24O12
• Molecular Weight: 2022.40 g/mol
• Exact Mass: 2020.98
• IUPAC Name: 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
• SMILES: C[C@@H](Cc1ccco1)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN1CCCC1)C3=O.C[C@@H](Cc1ccco1)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccccc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN1CCCC1)C3=O.Cc1ccccc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O
• InChI: InChI=1S/C30H32N6O3.C30H34N6O2.C27H28N6O4.C27H30N6O3/c1-18-7-3-4-8-20(18)15-19(2)32-23-9-10-31-28(37)26(23)27-33-24-16-21-22(17-25(24)34-27)30(39)36(29(21)38)14-13-35-11-5-6-12-35;1-19-7-3-4-8-21(19)15-20(2)32-24-9-10-31-29(37)27(24)28-33-25-16-22-18-36(14-13-35-11-5-6-12-35)30(38)23(22)17-26(25)34-28;1-16(13-17-5-4-12-37-17)29-20-6-7-28-25(34)23(20)24-30-21-14-18-19(15-22(21)31-24)27(36)33(26(18)35)11-10-32-8-2-3-9-32;1-17(13-19-5-4-12-36-19)29-21-6-7-28-26(34)24(21)25-30-22-14-18-16-33(11-10-32-8-2-3-9-32)27(35)20(18)15-23(22)31-25/h3-4,7-10,16-17,19H,5-6,11-15H2,1-2H3,(H,33,34)(H2,31,32,37);3-4,7-10,16-17,20H,5-6,11-15,18H2,1-2H3,(H,33,34)(H2,31,32,37);4-7,12,14-16H,2-3,8-11,13H2,1H3,(H,30,31)(H2,28,29,34);4-7,12,14-15,17H,2-3,8-11,13,16H2,1H3,(H,30,31)(H2,28,29,34)/t19-;20-;16-;17-/m0000/s1
• InChIKey: BKKMMBQFVIDBJK-CAYPWKEBSA-N
• XLogP: 15.13
• TPSA: 448.90 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.40
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?

The IUPAC name of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione (CID 157376806) is 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione.

What is the SMILES notation for 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?

The canonical SMILES for 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione is C[C@@H](Cc1ccco1)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN1CCCC1)C3=O.C[C@@H](Cc1ccco1)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.Cc1ccccc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN1CCCC1)C3=O.Cc1ccccc1C[C@H](C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN1CCCC1)C3=O.

What is the InChIKey of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?

The InChIKey is BKKMMBQFVIDBJK-CAYPWKEBSA-N. The full InChI is InChI=1S/C30H32N6O3.C30H34N6O2.C27H28N6O4.C27H30N6O3/c1-18-7-3-4-8-20(18)15-19(2)32-23-9-10-31-28(37)26(23)27-33-24-16-21-22(17-25(24)34-27)30(39)36(29(21)38)14-13-35-11-5-6-12-35;1-19-7-3-4-8-21(19)15-20(2)32-24-9-10-31-29(37)27(24)28-33-25-16-22-18-36(14-13-35-11-5-6-12-35)30(38)23(22)17-26(25)34-28;1-16(13-17-5-4-12-37-17)29-20-6-7-28-25(34)23(20)24-30-21-14-18-19(15-22(21)31-24)27(36)33(26(18)35)11-10-32-8-2-3-9-32;1-17(13-19-5-4-12-36-19)29-21-6-7-28-26(34)24(21)25-30-22-14-18-16-33(11-10-32-8-2-3-9-32)27(35)20(18)15-23(22)31-25/h3-4,7-10,16-17,19H,5-6,11-15H2,1-2H3,(H,33,34)(H2,31,32,37);3-4,7-10,16-17,20H,5-6,11-15,18H2,1-2H3,(H,33,34)(H2,31,32,37);4-7,12,14-16H,2-3,8-11,13H2,1H3,(H,30,31)(H2,28,29,34);4-7,12,14-15,17H,2-3,8-11,13,16H2,1H3,(H,30,31)(H2,28,29,34)/t19-;20-;16-;17-/m0000/s1.

What are the key properties of 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione?

2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione has a molecular weight of 2022.40 g/mol, XLogP of 15.13, 32 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one;2-[4-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-2-oxo-1H-pyridin-3-yl]-6-(2-pyrrolidin-1-ylethyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione is sourced from PubChem (CID 157376806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).