6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one

C123H117Cl10N31O20 — CID 158719461

IUPAC6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@@H]4Cc5ccccc54)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NN=C(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N5O.C22H16Cl2N6O3.2C20H19Cl2N5O4.2C19H19Cl2N5O4/c1-12(2)19-11-24-20-7-6-17(26-22(19)20)10-18-13(3)8-16(9-14(18)4)21-23(29)25-15(5)27-28-21;1-10-20(25)29-30(22(32)26-10)12-7-16(23)19(17(24)8-12)33-18-9-15(21(31)28-27-18)14-6-11-4-2-3-5-13(11)14;2*1-9(11-4-3-5-11)13-8-16(24-25-19(13)29)31-17-14(21)6-12(7-15(17)22)27-20(30)23-18(28)10(2)26-27;2*1-8(2)9(3)12-7-15(23-24-18(12)28)30-16-13(20)5-11(6-14(16)21)26-19(29)22-17(27)10(4)25-26/h6-9,11-12,24,27H,5,10H2,1-4H3,(H,25,29);2-5,7-9,14H,1,6H2,(H2,25,29)(H,26,32)(H,28,31);2*6-9,11H,3-5H2,1-2H3,(H,25,29)(H,23,28,30);2*5-9H,1-4H3,(H,24,28)(H,22,27,29)/t;14-;4*9-/m.11010/s1
InChIKeyIJSNOPJUVXWWSO-GTVVWIEWSA-N
MW2704.02 g/mol
LogP20.63
Rot. Bonds28

About 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one

6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one (PubChem CID 158719461) has the molecular formula C123H117Cl10N31O20 and a molecular weight of 2704.02 g/mol. Its IUPAC name is 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one
PubChem CID158719461
Molecular FormulaC123H117Cl10N31O20
Molecular Weight2704.02 g/mol
Exact Mass2697.60
IUPAC Name6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one
SMILESC=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@@H]4Cc5ccccc54)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NN=C(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N5O.C22H16Cl2N6O3.2C20H19Cl2N5O4.2C19H19Cl2N5O4/c1-12(2)19-11-24-20-7-6-17(26-22(19)20)10-18-13(3)8-16(9-14(18)4)21-23(29)25-15(5)27-28-21;1-10-20(25)29-30(22(32)26-10)12-7-16(23)19(17(24)8-12)33-18-9-15(21(31)28-27-18)14-6-11-4-2-3-5-13(11)14;2*1-9(11-4-3-5-11)13-8-16(24-25-19(13)29)31-17-14(21)6-12(7-15(17)22)27-20(30)23-18(28)10(2)26-27;2*1-8(2)9(3)12-7-15(23-24-18(12)28)30-16-13(20)5-11(6-14(16)21)26-19(29)22-17(27)10(4)25-26/h6-9,11-12,24,27H,5,10H2,1-4H3,(H,25,29);2-5,7-9,14H,1,6H2,(H2,25,29)(H,26,32)(H,28,31);2*6-9,11H,3-5H2,1-2H3,(H,25,29)(H,23,28,30);2*5-9H,1-4H3,(H,24,28)(H,22,27,29)/t;14-;4*9-/m.11010/s1
InChIKeyIJSNOPJUVXWWSO-GTVVWIEWSA-N
XLogP20.63
TPSA698.79 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002704.02
LogP ≤ 520.63
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Analyze 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?
The IUPAC name of 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one (CID 158719461) is 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?
The canonical SMILES for 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one is C=C1NC(=O)N(c2cc(Cl)c(Oc3cc([C@@H]4Cc5ccccc54)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NN=C(c2cc(C)c(Cc3ccc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C(C)C)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.Cc1nn(-c2cc(Cl)c(Oc3cc([C@H](C)C4CCC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?
The InChIKey is IJSNOPJUVXWWSO-GTVVWIEWSA-N. The full InChI is InChI=1S/C23H25N5O.C22H16Cl2N6O3.2C20H19Cl2N5O4.2C19H19Cl2N5O4/c1-12(2)19-11-24-20-7-6-17(26-22(19)20)10-18-13(3)8-16(9-14(18)4)21-23(29)25-15(5)27-28-21;1-10-20(25)29-30(22(32)26-10)12-7-16(23)19(17(24)8-12)33-18-9-15(21(31)28-27-18)14-6-11-4-2-3-5-13(11)14;2*1-9(11-4-3-5-11)13-8-16(24-25-19(13)29)31-17-14(21)6-12(7-15(17)22)27-20(30)23-18(28)10(2)26-27;2*1-8(2)9(3)12-7-15(23-24-18(12)28)30-16-13(20)5-11(6-14(16)21)26-19(29)22-17(27)10(4)25-26/h6-9,11-12,24,27H,5,10H2,1-4H3,(H,25,29);2-5,7-9,14H,1,6H2,(H2,25,29)(H,26,32)(H,28,31);2*6-9,11H,3-5H2,1-2H3,(H,25,29)(H,23,28,30);2*5-9H,1-4H3,(H,24,28)(H,22,27,29)/t;14-;4*9-/m.11010/s1.
What are the key properties of 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one?
6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one has a molecular weight of 2704.02 g/mol, XLogP of 20.63, 28 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-[[5-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-5-methylidene-1,2,4-triazin-3-one;2-[3,5-dichloro-4-[[5-[(1S)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(1R)-1-cyclobutylethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2S)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;2-[3,5-dichloro-4-[[5-[(2R)-3-methylbutan-2-yl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-6-methyl-1,2,4-triazine-3,5-dione;6-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-3-methylidene-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 158719461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).