5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one

C107H92Cl10N28O16 — CID 160602371

About 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one

5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one (PubChem CID 160602371) has the molecular formula C107H92Cl10N28O16 and a molecular weight of 2380.62 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one.

Molecular Properties

• Compound Name: 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one
• PubChem CID: 160602371
• Molecular Formula: C107H92Cl10N28O16
• Molecular Weight: 2380.62 g/mol
• Exact Mass: 2374.41
• IUPAC Name: 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one
• SMILES: C=C1NC(=O)C(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)=NN1CC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CNC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CO.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)N(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)N5CCc6ccccc6C5)c4c3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C29H20Cl2N6O3.C22H16Cl2N6O3.C19H20Cl2N6O3.C19H19Cl2N5O3.C18H17Cl2N5O4/c1-16-26(13-32)35-37(29(39)34-16)19-10-23(30)27(24(31)11-19)40-20-6-7-25-21(12-20)22(14-33-25)28(38)36-9-8-17-4-2-3-5-18(17)15-36;1-11-19(9-25)28-30(22(32)27-11)12-6-16(23)20(17(24)7-12)33-13-4-5-18-14(8-13)15(10-26-18)21(31)29(2)3;1-9(2)12-7-16(24-25-18(12)28)30-17-13(20)5-11(6-14(17)21)27-19(29)23-10(3)15(26-27)8-22-4;1-5-26-10(4)22-19(28)16(25-26)11-6-13(20)17(14(21)7-11)29-15-8-12(9(2)3)18(27)24-23-15;1-8(2)11-6-15(22-23-17(11)27)29-16-12(19)4-10(5-13(16)20)25-18(28)21-9(3)14(7-26)24-25/h2-7,10-12,14,33H,1,8-9,15H2,(H,34,39);4-8,10,26H,1H2,2-3H3,(H,27,32);5-7,9,22H,3,8H2,1-2,4H3,(H,23,29)(H,25,28);6-9H,4-5H2,1-3H3,(H,22,28)(H,24,27);4-6,8,26H,3,7H2,1-2H3,(H,21,28)(H,23,27)
• InChIKey: RELHDFUNTNNQDD-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 558.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.62
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one?

The IUPAC name of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one (CID 160602371) is 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one.

What is the SMILES notation for 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one?

The canonical SMILES for 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one is C=C1NC(=O)C(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)=NN1CC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CNC.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C)c(=O)[nH]n3)c(Cl)c2)N=C1CO.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)N(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)N5CCc6ccccc6C5)c4c3)c(Cl)c2)N=C1C#N.

What is the InChIKey of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one?

The InChIKey is RELHDFUNTNNQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N6O3.C22H16Cl2N6O3.C19H20Cl2N6O3.C19H19Cl2N5O3.C18H17Cl2N5O4/c1-16-26(13-32)35-37(29(39)34-16)19-10-23(30)27(24(31)11-19)40-20-6-7-25-21(12-20)22(14-33-25)28(38)36-9-8-17-4-2-3-5-18(17)15-36;1-11-19(9-25)28-30(22(32)27-11)12-6-16(23)20(17(24)7-12)33-13-4-5-18-14(8-13)15(10-26-18)21(31)29(2)3;1-9(2)12-7-16(24-25-18(12)28)30-17-13(20)5-11(6-14(17)21)27-19(29)23-10(3)15(26-27)8-22-4;1-5-26-10(4)22-19(28)16(25-26)11-6-13(20)17(14(21)7-11)29-15-8-12(9(2)3)18(27)24-23-15;1-8(2)11-6-15(22-23-17(11)27)29-16-12(19)4-10(5-13(16)20)25-18(28)21-9(3)14(7-26)24-25/h2-7,10-12,14,33H,1,8-9,15H2,(H,34,39);4-8,10,26H,1H2,2-3H3,(H,27,32);5-7,9,22H,3,8H2,1-2,4H3,(H,23,29)(H,25,28);6-9H,4-5H2,1-3H3,(H,22,28)(H,24,27);4-6,8,26H,3,7H2,1-2H3,(H,21,28)(H,23,27).

What are the key properties of 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one?

5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one has a molecular weight of 2380.62 g/mol, XLogP of 21.89, 24 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N,N-dimethyl-1H-indole-3-carboxamide;2-[3,5-dichloro-4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-indol-5-yl]oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;6-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-ethyl-3-methylidene-1,2,4-triazin-5-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethyl)-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(methylaminomethyl)-5-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 160602371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).