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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

C114H90Cl10N30O14 — CID 160786084

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (PubChem CID 160786084) has the molecular formula C114H90Cl10N30O14 and a molecular weight of 2458.70 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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• PubChem CID: 160786084
• Molecular Formula: C114H90Cl10N30O14
• Molecular Weight: 2458.70 g/mol
• Exact Mass: 2452.41
• 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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile
• SMILES: 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(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.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)NC(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CCC)c4n3)c(Cl)c2)N=C1C#N
• InChI: InChI=1S/C29H20Cl2N6O3.C23H18Cl2N6O3.C22H16Cl2N6O3.C21H16Cl2N6O2.C19H20Cl2N6O3/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(2)28-22(32)16-10-27-19-5-4-14(8-15(16)19)34-21-17(24)6-13(7-18(21)25)31-23(33)29-12(3)20(9-26)30-31;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;1-3-4-12-10-25-16-5-6-18(27-19(12)16)31-20-14(22)7-13(8-15(20)23)29-21(30)26-11(2)17(9-24)28-29;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/h2-7,10-12,14,33H,1,8-9,15H2,(H,34,39);4-8,10-11,27H,3H2,1-2H3,(H,28,32)(H,29,33);4-8,10,26H,1H2,2-3H3,(H,27,32);5-8,10,25H,2-4H2,1H3,(H,26,30);5-7,9,22H,3,8H2,1-2,4H3,(H,23,29)(H,25,28)
• InChIKey: SBFLYHSCDLKUCS-UHFFFAOYSA-N
• XLogP: 25.76
• TPSA: 568.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.70
LogP ≤ 5	25.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile (CID 160786084) 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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile.

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is 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(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.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(C(=O)NC(C)C)c4c3)c(Cl)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3ccc4[nH]cc(CCC)c4n3)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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

The InChIKey is SBFLYHSCDLKUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N6O3.C23H18Cl2N6O3.C22H16Cl2N6O3.C21H16Cl2N6O2.C19H20Cl2N6O3/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(2)28-22(32)16-10-27-19-5-4-14(8-15(16)19)34-21-17(24)6-13(7-18(21)25)31-23(33)29-12(3)20(9-26)30-31;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;1-3-4-12-10-25-16-5-6-18(27-19(12)16)31-20-14(22)7-13(8-15(20)23)29-21(30)26-11(2)17(9-24)28-29;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/h2-7,10-12,14,33H,1,8-9,15H2,(H,34,39);4-8,10-11,27H,3H2,1-2H3,(H,28,32)(H,29,33);4-8,10,26H,1H2,2-3H3,(H,27,32);5-8,10,25H,2-4H2,1H3,(H,26,30);5-7,9,22H,3,8H2,1-2,4H3,(H,23,29)(H,25,28).

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile?

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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 2458.70 g/mol, XLogP of 25.76, 24 rotatable bonds, 12 hydrogen bond donors, and 26 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;5-[2,6-dichloro-4-(6-cyano-5-methylidene-3-oxo-1,2,4-triazin-2-yl)phenoxy]-N-propan-2-yl-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;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;2-[3,5-dichloro-4-[(3-propyl-1H-pyrrolo[3,2-b]pyridin-5-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 160786084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).