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

IUPAC2-[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
SMILESC=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
InChIInChI=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)
InChIKeyIXYUZLBEPPIDHQ-UHFFFAOYSA-N
MW2301.57 g/mol
LogP28.88
Rot. Bonds23

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 Name2-[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 CID158838759
Molecular FormulaC108H83Cl10N29O10
Molecular Weight2301.57 g/mol
Exact Mass2295.38
IUPAC Name2-[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
SMILESC=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
InChIInChI=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)
InChIKeyIXYUZLBEPPIDHQ-UHFFFAOYSA-N
XLogP28.88
TPSA519.11 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002301.57
LogP ≤ 528.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;bis(2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one)
CID 157126412
6-amino-2-[3,5-dichloro-4-[(4-cyclohexyl-3-oxo-4H-pyridazin-6-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one
CID 157864718
6-amino-2-[3,5-dichloro-4-[(5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;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
CID 161815390
2-[4-[(3-benzyl-1H-indol-5-yl)oxy]-3,5-dichlorophenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-(1H-indol-5-yloxy)phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-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
CID 161987366
CID 164044783
CID 164044783

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158838759) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is IXYUZLBEPPIDHQ-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 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 has a molecular weight of 2301.57 g/mol, XLogP of 28.88, 23 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158838759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).