1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile

C130H100Cl14FN35O26 — CID 158523311

IUPAC1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESC=C1NC(=O)N(c2cc(Cl)c(Cn3nccc(C(C)C)c3=O)c(Cl)c2)N=C1C#N.CC(C)c1cc(Oc2c(Cl)cc(-n3c4c(c(=O)[nH]c3=O)CCC4)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1c(C)c(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1c(F)c(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1cc(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]c1c(Cl)c(Oc2c[nH]c(=O)c(C(C)C([2H])([2H])[2H])c2)c(Cl)c([2H])c1-n1nc(C#N)c(=O)[nH]c1=O.[2H]c1c(Cl)c(Oc2cc(C(C)C([2H])([2H])[2H])c(=O)[nH]n2)c(Cl)c([2H])c1-n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C20H18Cl2N4O4.C19H16Cl2N6O2.C19H15Cl2N5O4.C18H12Cl2FN5O4.3C18H13Cl2N5O4/c1-9(2)12-8-16(24-25-19(12)28)30-17-13(21)6-10(7-14(17)22)26-15-5-3-4-11(15)18(27)23-20(26)29;1-10(2)13-4-5-23-26(18(13)28)9-14-15(20)6-12(7-16(14)21)27-19(29)24-11(3)17(8-22)25-27;1-8(2)14-9(3)18(25-24-17(14)28)30-15-12(20)4-11(5-13(15)21)26-7-10(6-22)16(27)23-19(26)29;1-7(2)12-13(21)17(25-24-16(12)28)30-14-10(19)3-9(4-11(14)20)26-6-8(5-22)15(27)23-18(26)29;2*1-8(2)11-5-14(23-24-17(11)27)29-15-12(19)3-10(4-13(15)20)25-7-9(6-21)16(26)22-18(25)28;1-8(2)11-5-10(7-22-16(11)26)29-15-12(19)3-9(4-13(15)20)25-18(28)23-17(27)14(6-21)24-25/h6-9H,3-5H2,1-2H3,(H,25,28)(H,23,27,29);4-7,10H,3,9H2,1-2H3,(H,24,29);4-5,7-8H,1-3H3,(H,24,28)(H,23,27,29);3-4,6-7H,1-2H3,(H,24,28)(H,23,27,29);2*3-5,7-8H,1-2H3,(H,24,27)(H,22,26,28);3-5,7-8H,1-2H3,(H,22,26)(H,23,27,28)/i;;2*1D3;1D3,3D,4D;1D3;1D3,3D,4D
InChIKeyHMMICOSOUXQMCB-DOTQMREHSA-N
MW3102.90 g/mol
LogP20.93
Rot. Bonds33

About 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile

1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 158523311) has the molecular formula C130H100Cl14FN35O26 and a molecular weight of 3102.90 g/mol. Its IUPAC name is 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID158523311
Molecular FormulaC130H100Cl14FN35O26
Molecular Weight3102.90 g/mol
Exact Mass3094.44
IUPAC Name1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESC=C1NC(=O)N(c2cc(Cl)c(Cn3nccc(C(C)C)c3=O)c(Cl)c2)N=C1C#N.CC(C)c1cc(Oc2c(Cl)cc(-n3c4c(c(=O)[nH]c3=O)CCC4)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1c(C)c(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1c(F)c(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1cc(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]c1c(Cl)c(Oc2c[nH]c(=O)c(C(C)C([2H])([2H])[2H])c2)c(Cl)c([2H])c1-n1nc(C#N)c(=O)[nH]c1=O.[2H]c1c(Cl)c(Oc2cc(C(C)C([2H])([2H])[2H])c(=O)[nH]n2)c(Cl)c([2H])c1-n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C20H18Cl2N4O4.C19H16Cl2N6O2.C19H15Cl2N5O4.C18H12Cl2FN5O4.3C18H13Cl2N5O4/c1-9(2)12-8-16(24-25-19(12)28)30-17-13(21)6-10(7-14(17)22)26-15-5-3-4-11(15)18(27)23-20(26)29;1-10(2)13-4-5-23-26(18(13)28)9-14-15(20)6-12(7-16(14)21)27-19(29)24-11(3)17(8-22)25-27;1-8(2)14-9(3)18(25-24-17(14)28)30-15-12(20)4-11(5-13(15)21)26-7-10(6-22)16(27)23-19(26)29;1-7(2)12-13(21)17(25-24-16(12)28)30-14-10(19)3-9(4-11(14)20)26-6-8(5-22)15(27)23-18(26)29;2*1-8(2)11-5-14(23-24-17(11)27)29-15-12(19)3-10(4-13(15)20)25-7-9(6-21)16(26)22-18(25)28;1-8(2)11-5-10(7-22-16(11)26)29-15-12(19)3-9(4-13(15)20)25-18(28)23-17(27)14(6-21)24-25/h6-9H,3-5H2,1-2H3,(H,25,28)(H,23,27,29);4-7,10H,3,9H2,1-2H3,(H,24,29);4-5,7-8H,1-3H3,(H,24,28)(H,23,27,29);3-4,6-7H,1-2H3,(H,24,28)(H,23,27,29);2*3-5,7-8H,1-2H3,(H,24,27)(H,22,26,28);3-5,7-8H,1-2H3,(H,22,26)(H,23,27,28)/i;;2*1D3;1D3,3D,4D;1D3;1D3,3D,4D
InChIKeyHMMICOSOUXQMCB-DOTQMREHSA-N
XLogP20.93
TPSA881.37 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds33
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003102.90
LogP ≤ 520.93
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Analyze 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 158523311) is 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile is C=C1NC(=O)N(c2cc(Cl)c(Cn3nccc(C(C)C)c3=O)c(Cl)c2)N=C1C#N.CC(C)c1cc(Oc2c(Cl)cc(-n3c4c(c(=O)[nH]c3=O)CCC4)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1c(C)c(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1c(F)c(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]C([2H])([2H])C(C)c1cc(Oc2c(Cl)cc(-n3cc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O.[2H]c1c(Cl)c(Oc2c[nH]c(=O)c(C(C)C([2H])([2H])[2H])c2)c(Cl)c([2H])c1-n1nc(C#N)c(=O)[nH]c1=O.[2H]c1c(Cl)c(Oc2cc(C(C)C([2H])([2H])[2H])c(=O)[nH]n2)c(Cl)c([2H])c1-n1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is HMMICOSOUXQMCB-DOTQMREHSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4.C19H16Cl2N6O2.C19H15Cl2N5O4.C18H12Cl2FN5O4.3C18H13Cl2N5O4/c1-9(2)12-8-16(24-25-19(12)28)30-17-13(21)6-10(7-14(17)22)26-15-5-3-4-11(15)18(27)23-20(26)29;1-10(2)13-4-5-23-26(18(13)28)9-14-15(20)6-12(7-16(14)21)27-19(29)24-11(3)17(8-22)25-27;1-8(2)14-9(3)18(25-24-17(14)28)30-15-12(20)4-11(5-13(15)21)26-7-10(6-22)16(27)23-19(26)29;1-7(2)12-13(21)17(25-24-16(12)28)30-14-10(19)3-9(4-11(14)20)26-6-8(5-22)15(27)23-18(26)29;2*1-8(2)11-5-14(23-24-17(11)27)29-15-12(19)3-10(4-13(15)20)25-7-9(6-21)16(26)22-18(25)28;1-8(2)11-5-10(7-22-16(11)26)29-15-12(19)3-9(4-13(15)20)25-18(28)23-17(27)14(6-21)24-25/h6-9H,3-5H2,1-2H3,(H,25,28)(H,23,27,29);4-7,10H,3,9H2,1-2H3,(H,24,29);4-5,7-8H,1-3H3,(H,24,28)(H,23,27,29);3-4,6-7H,1-2H3,(H,24,28)(H,23,27,29);2*3-5,7-8H,1-2H3,(H,24,27)(H,22,26,28);3-5,7-8H,1-2H3,(H,22,26)(H,23,27,28)/i;;2*1D3;1D3,3D,4D;1D3;1D3,3D,4D.
What are the key properties of 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 3102.90 g/mol, XLogP of 20.93, 33 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-2,6-dideuterio-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridin-3-yl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[[4-fluoro-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;1-[3,5-dichloro-4-[[4-methyl-6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile;2-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyridazin-1-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;1-[3,5-dichloro-4-[[6-oxo-5-(1,1,1-trideuteriopropan-2-yl)-1H-pyridazin-3-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 158523311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).