2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine

C139H155ClF3N27O10 — CID 159180627

About 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine

2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine (PubChem CID 159180627) has the molecular formula C139H155ClF3N27O10 and a molecular weight of 2456.39 g/mol. Its IUPAC name is 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine.

Molecular Properties

• Compound Name: 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine
• PubChem CID: 159180627
• Molecular Formula: C139H155ClF3N27O10
• Molecular Weight: 2456.39 g/mol
• Exact Mass: 2454.21
• IUPAC Name: 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine
• SMILES: CCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)nc1.CCOc1cnc(-n2c(C)c3c(C)nnc(C)c3c2C)cn1.COc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(OC)c1.Cc1cc(-n2c(C)c3c(C)nnc(C)c3c2C)ccc1O.Cc1nnc(C)c2c(C)n(-c3ccc(O)c(Cl)c3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(OC(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc4c(c3)OCCO4)c(C)c12
• InChI: InChI=1S/C19H23N3O.C18H22N4O.C18H19N3O2.C18H21N3O2.C17H16F3N3O.C17H19N3O.C16H16ClN3O.C16H19N5O/c1-11(2)23-17-9-7-16(8-10-17)22-14(5)18-12(3)20-21-13(4)19(18)15(22)6;1-6-9-23-15-7-8-16(19-10-15)22-13(4)17-11(2)20-21-12(3)18(17)14(22)5;1-10-17-12(3)21(13(4)18(17)11(2)20-19-10)14-5-6-15-16(9-14)23-8-7-22-15;1-10-17-12(3)21(13(4)18(17)11(2)20-19-10)15-8-7-14(22-5)9-16(15)23-6;1-9-15-11(3)23(12(4)16(15)10(2)22-21-9)13-5-7-14(8-6-13)24-17(18,19)20;1-9-8-14(6-7-15(9)21)20-12(4)16-10(2)18-19-11(3)17(16)13(20)5;1-8-15-10(3)20(11(4)16(15)9(2)19-18-8)12-5-6-14(21)13(17)7-12;1-6-22-14-8-17-13(7-18-14)21-11(4)15-9(2)19-20-10(3)16(15)12(21)5/h7-11H,1-6H3;7-8,10H,6,9H2,1-5H3;5-6,9H,7-8H2,1-4H3;7-9H,1-6H3;5-8H,1-4H3;6-8,21H,1-5H3;5-7,21H,1-4H3;7-8H,6H2,1-5H3
• InChIKey: KMVLZOLHILDYKQ-UHFFFAOYSA-N
• XLogP: 30.45
• TPSA: 398.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.39
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?

The IUPAC name of 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine (CID 159180627) is 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine.

What is the SMILES notation for 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?

The canonical SMILES for 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine is CCCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)nc1.CCOc1cnc(-n2c(C)c3c(C)nnc(C)c3c2C)cn1.COc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)c(OC)c1.Cc1cc(-n2c(C)c3c(C)nnc(C)c3c2C)ccc1O.Cc1nnc(C)c2c(C)n(-c3ccc(O)c(Cl)c3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(OC(C)C)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(C)c12.Cc1nnc(C)c2c(C)n(-c3ccc4c(c3)OCCO4)c(C)c12.

What is the InChIKey of 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?

The InChIKey is KMVLZOLHILDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.C18H22N4O.C18H19N3O2.C18H21N3O2.C17H16F3N3O.C17H19N3O.C16H16ClN3O.C16H19N5O/c1-11(2)23-17-9-7-16(8-10-17)22-14(5)18-12(3)20-21-13(4)19(18)15(22)6;1-6-9-23-15-7-8-16(19-10-15)22-13(4)17-11(2)20-21-12(3)18(17)14(22)5;1-10-17-12(3)21(13(4)18(17)11(2)20-19-10)14-5-6-15-16(9-14)23-8-7-22-15;1-10-17-12(3)21(13(4)18(17)11(2)20-19-10)15-8-7-14(22-5)9-16(15)23-6;1-9-15-11(3)23(12(4)16(15)10(2)22-21-9)13-5-7-14(8-6-13)24-17(18,19)20;1-9-8-14(6-7-15(9)21)20-12(4)16-10(2)18-19-11(3)17(16)13(20)5;1-8-15-10(3)20(11(4)16(15)9(2)19-18-8)12-5-6-14(21)13(17)7-12;1-6-22-14-8-17-13(7-18-14)21-11(4)15-9(2)19-20-10(3)16(15)12(21)5/h7-11H,1-6H3;7-8,10H,6,9H2,1-5H3;5-6,9H,7-8H2,1-4H3;7-9H,1-6H3;5-8H,1-4H3;6-8,21H,1-5H3;5-7,21H,1-4H3;7-8H,6H2,1-5H3.

What are the key properties of 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine?

2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine has a molecular weight of 2456.39 g/mol, XLogP of 30.45, 18 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(2,4-dimethoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;6-(5-ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine;2-methyl-4-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol;1,4,5,7-tetramethyl-6-(4-propan-2-yloxyphenyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-(5-propoxy-2-pyridinyl)pyrrolo[3,4-d]pyridazine;1,4,5,7-tetramethyl-6-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 159180627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).