2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
C108H83Cl10N29O10 — CID 158838759
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 158838759) has the molecular formula C108H83Cl10N29O10 and a molecular weight of 2301.57 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.
Molecular Properties
| Compound Name | 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile |
|---|---|
| PubChem CID | 158838759 |
| Molecular Formula | C108H83Cl10N29O10 |
| Molecular Weight | 2301.57 g/mol |
| Exact Mass | 2295.38 |
| IUPAC Name | 2-[3,5-dichloro-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propyl-1H-indol-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile |
| SMILES | C=C1NC(=O)N(c2cc(Cl)c(Oc3cc4c(C(C)C)c[nH]c4nn3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CC(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CC5CC5)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CCC)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cnc4[nH]cc(C(C)C)c4n3)c(Cl)c2)N=C1C#N |
| InChI | InChI=1S/C23H17Cl2N5O2.C23H19Cl2N5O2.C22H17Cl2N5O2.2C20H15Cl2N7O2/c1-12-21(10-26)29-30(23(31)28-12)15-7-18(24)22(19(25)8-15)32-16-4-5-20-17(9-16)14(11-27-20)6-13-2-3-13;1-12(2)6-14-11-27-20-5-4-16(9-17(14)20)32-22-18(24)7-15(8-19(22)25)30-23(31)28-13(3)21(10-26)29-30;1-3-4-13-11-26-19-6-5-15(9-16(13)19)31-21-17(23)7-14(8-18(21)24)29-22(30)27-12(2)20(10-25)28-29;1-9(2)12-7-24-19-17(12)27-16(8-25-19)31-18-13(21)4-11(5-14(18)22)29-20(30)26-10(3)15(6-23)28-29;1-9(2)13-8-24-19-12(13)6-17(26-27-19)31-18-14(21)4-11(5-15(18)22)29-20(30)25-10(3)16(7-23)28-29/h4-5,7-9,11,13,27H,1-3,6H2,(H,28,31);4-5,7-9,11-12,27H,3,6H2,1-2H3,(H,28,31);5-9,11,26H,2-4H2,1H3,(H,27,30);4-5,7-9H,3H2,1-2H3,(H,24,25)(H,26,30);4-6,8-9H,3H2,1-2H3,(H,24,27)(H,25,30) |
| InChIKey | IXYUZLBEPPIDHQ-UHFFFAOYSA-N |
| XLogP | 28.88 |
| TPSA | 519.11 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 157 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2301.57 |
| LogP ≤ 5 | 28.88 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 24 |
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Sources
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