1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone
C139H113N25O8 — CID 158062389
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone
SMILESCN(C1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3)c1ccnn1C.Cn1ccc(C2=NCc3cc4c(cc32)N=C(C(=O)Cc2ccccc2)C4)cc1=O.Cn1nccc1CC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nccc1OC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nnc2cc(C3=NCc4cc5c(cc43)N=C(C(=O)Cc3ccccc3)C5)ccc21.O=C(Cc1ccccc1)c1nc2cc3c(cc2[nH]1)CN=C3c1ccncc1
InChIInChI=1S/C25H19N5O.C24H19N3O2.C23H21N5O.C23H20N4O.C22H18N4O2.C22H16N4O/c1-30-23-8-7-16(11-21(23)28-29-30)25-19-13-20-17(10-18(19)14-26-25)12-22(27-20)24(31)9-15-5-3-2-4-6-15;1-27-8-7-16(12-23(27)29)24-19-13-20-17(10-18(19)14-25-24)11-21(26-20)22(28)9-15-5-3-2-4-6-15;1-27(22-8-9-25-28(22)2)23-18-13-19-16(11-17(18)14-24-23)12-20(26-19)21(29)10-15-6-4-3-5-7-15;1-27-18(7-8-25-27)12-21-19-13-20-16(10-17(19)14-24-21)11-22(26-20)23(28)9-15-5-3-2-4-6-15;1-26-21(7-8-24-26)28-22-17-12-18-15(10-16(17)13-23-22)11-19(25-18)20(27)9-14-5-3-2-4-6-14;27-20(10-14-4-2-1-3-5-14)22-25-18-11-16-13-24-21(15-6-8-23-9-7-15)17(16)12-19(18)26-22/h2-8,10-11,13H,9,12,14H2,1H3;2-8,10,12-13H,9,11,14H2,1H3;3-9,11,13H,10,12,14H2,1-2H3;2-8,10,13H,9,11-12,14H2,1H3;2-8,10,12H,9,11,13H2,1H3;1-9,11-12H,10,13H2,(H,25,26)
InChIKeyFKUPOOIPHAQWBU-UHFFFAOYSA-N
MW2261.60 g/mol
LogP20.53
Rot. Bonds25
About 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone
1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone (PubChem CID 158062389) has the molecular formula C139H113N25O8 and a molecular weight of 2261.60 g/mol. Its IUPAC name is 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone.
Molecular Properties
| Compound Name | 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone |
|---|---|
| PubChem CID | 158062389 |
| Molecular Formula | C139H113N25O8 |
| Molecular Weight | 2261.60 g/mol |
| Exact Mass | 2259.92 |
| IUPAC Name | 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone |
| SMILES | CN(C1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3)c1ccnn1C.Cn1ccc(C2=NCc3cc4c(cc32)N=C(C(=O)Cc2ccccc2)C4)cc1=O.Cn1nccc1CC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nccc1OC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nnc2cc(C3=NCc4cc5c(cc43)N=C(C(=O)Cc3ccccc3)C5)ccc21.O=C(Cc1ccccc1)c1nc2cc3c(cc2[nH]1)CN=C3c1ccncc1 |
| InChI | InChI=1S/C25H19N5O.C24H19N3O2.C23H21N5O.C23H20N4O.C22H18N4O2.C22H16N4O/c1-30-23-8-7-16(11-21(23)28-29-30)25-19-13-20-17(10-18(19)14-26-25)12-22(27-20)24(31)9-15-5-3-2-4-6-15;1-27-8-7-16(12-23(27)29)24-19-13-20-17(10-18(19)14-25-24)11-21(26-20)22(28)9-15-5-3-2-4-6-15;1-27(22-8-9-25-28(22)2)23-18-13-19-16(11-17(18)14-24-23)12-20(26-19)21(29)10-15-6-4-3-5-7-15;1-27-18(7-8-25-27)12-21-19-13-20-16(10-17(19)14-24-21)11-22(26-20)23(28)9-15-5-3-2-4-6-15;1-26-21(7-8-24-26)28-22-17-12-18-15(10-16(17)13-23-22)11-19(25-18)20(27)9-14-5-3-2-4-6-14;27-20(10-14-4-2-1-3-5-14)22-25-18-11-16-13-24-21(15-6-8-23-9-7-15)17(16)12-19(18)26-22/h2-8,10-11,13H,9,12,14H2,1H3;2-8,10,12-13H,9,11,14H2,1H3;3-9,11,13H,10,12,14H2,1-2H3;2-8,10,13H,9,11-12,14H2,1H3;2-8,10,12H,9,11,13H2,1H3;1-9,11-12H,10,13H2,(H,25,26) |
| InChIKey | FKUPOOIPHAQWBU-UHFFFAOYSA-N |
| XLogP | 20.53 |
| TPSA | 398.59 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 172 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2261.60 |
| LogP ≤ 5 | 20.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 32 |
Frequently Asked Questions
What is the IUPAC name of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
The IUPAC name of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone (CID 158062389) is 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone is CN(C1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3)c1ccnn1C.Cn1ccc(C2=NCc3cc4c(cc32)N=C(C(=O)Cc2ccccc2)C4)cc1=O.Cn1nccc1CC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nccc1OC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nnc2cc(C3=NCc4cc5c(cc43)N=C(C(=O)Cc3ccccc3)C5)ccc21.O=C(Cc1ccccc1)c1nc2cc3c(cc2[nH]1)CN=C3c1ccncc1.
What is the InChIKey of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
The InChIKey is FKUPOOIPHAQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O.C24H19N3O2.C23H21N5O.C23H20N4O.C22H18N4O2.C22H16N4O/c1-30-23-8-7-16(11-21(23)28-29-30)25-19-13-20-17(10-18(19)14-26-25)12-22(27-20)24(31)9-15-5-3-2-4-6-15;1-27-8-7-16(12-23(27)29)24-19-13-20-17(10-18(19)14-25-24)11-21(26-20)22(28)9-15-5-3-2-4-6-15;1-27(22-8-9-25-28(22)2)23-18-13-19-16(11-17(18)14-24-23)12-20(26-19)21(29)10-15-6-4-3-5-7-15;1-27-18(7-8-25-27)12-21-19-13-20-16(10-17(19)14-24-21)11-22(26-20)23(28)9-15-5-3-2-4-6-15;1-26-21(7-8-24-26)28-22-17-12-18-15(10-16(17)13-23-22)11-19(25-18)20(27)9-14-5-3-2-4-6-14;27-20(10-14-4-2-1-3-5-14)22-25-18-11-16-13-24-21(15-6-8-23-9-7-15)17(16)12-19(18)26-22/h2-8,10-11,13H,9,12,14H2,1H3;2-8,10,12-13H,9,11,14H2,1H3;3-9,11,13H,10,12,14H2,1-2H3;2-8,10,13H,9,11-12,14H2,1H3;2-8,10,12H,9,11,13H2,1H3;1-9,11-12H,10,13H2,(H,25,26).
What are the key properties of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone has a molecular weight of 2261.60 g/mol, XLogP of 20.53, 25 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone is sourced from PubChem (CID 158062389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158062389 — identifiers, structure, computed properties (public domain)
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