6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

C97H110N18O9 — CID 158251785

IUPAC6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(N)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4cccc(OC)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccc4OC)c3c2C)cc1
InChIInChI=1S/C28H30N6O3.C26H30N4O2.C25H28N4O2.C18H22N4O2/c1-6-37-19-11-12-22(23(15-19)36-5)34-17(3)25-16(2)32-33-27(26(25)18(34)4)29-14-13-24-30-21-10-8-7-9-20(21)28(35)31-24;1-6-32-22-12-10-21(11-13-22)30-18(3)24-17(2)28-29-26(25(24)19(30)4)27-15-14-20-8-7-9-23(16-20)31-5;1-6-31-21-13-11-20(12-14-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-9-7-8-10-22(19)30-5;1-6-24-13-7-8-14(15(9-13)23-5)22-11(3)16-10(2)20-21-18(19)17(16)12(22)4/h7-12,15H,6,13-14H2,1-5H3,(H,29,33)(H,30,31,35);7-13,16H,6,14-15H2,1-5H3,(H,27,29);7-14H,6,15H2,1-5H3,(H,26,28);7-9H,6H2,1-5H3,(H2,19,21)
InChIKeyGGUNQBSPQVWYML-UHFFFAOYSA-N
MW1672.06 g/mol
LogP18.75
Rot. Bonds27

About 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (PubChem CID 158251785) has the molecular formula C97H110N18O9 and a molecular weight of 1672.06 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
PubChem CID158251785
Molecular FormulaC97H110N18O9
Molecular Weight1672.06 g/mol
Exact Mass1670.87
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
SMILESCCOc1ccc(-n2c(C)c3c(C)nnc(N)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4cccc(OC)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccc4OC)c3c2C)cc1
InChIInChI=1S/C28H30N6O3.C26H30N4O2.C25H28N4O2.C18H22N4O2/c1-6-37-19-11-12-22(23(15-19)36-5)34-17(3)25-16(2)32-33-27(26(25)18(34)4)29-14-13-24-30-21-10-8-7-9-20(21)28(35)31-24;1-6-32-22-12-10-21(11-13-22)30-18(3)24-17(2)28-29-26(25(24)19(30)4)27-15-14-20-8-7-9-23(16-20)31-5;1-6-31-21-13-11-20(12-14-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-9-7-8-10-22(19)30-5;1-6-24-13-7-8-14(15(9-13)23-5)22-11(3)16-10(2)20-21-18(19)17(16)12(22)4/h7-12,15H,6,13-14H2,1-5H3,(H,29,33)(H,30,31,35);7-13,16H,6,14-15H2,1-5H3,(H,27,29);7-14H,6,15H2,1-5H3,(H,26,28);7-9H,6H2,1-5H3,(H2,19,21)
InChIKeyGGUNQBSPQVWYML-UHFFFAOYSA-N
XLogP18.75
TPSA304.54 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.06
LogP ≤ 518.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine (CID 158251785) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is CCOc1ccc(-n2c(C)c3c(C)nnc(N)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4cccc(OC)c4)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCc4nc5ccccc5c(=O)[nH]4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccccc4OC)c3c2C)cc1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
The InChIKey is GGUNQBSPQVWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C26H30N4O2.C25H28N4O2.C18H22N4O2/c1-6-37-19-11-12-22(23(15-19)36-5)34-17(3)25-16(2)32-33-27(26(25)18(34)4)29-14-13-24-30-21-10-8-7-9-20(21)28(35)31-24;1-6-32-22-12-10-21(11-13-22)30-18(3)24-17(2)28-29-26(25(24)19(30)4)27-15-14-20-8-7-9-23(16-20)31-5;1-6-31-21-13-11-20(12-14-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-9-7-8-10-22(19)30-5;1-6-24-13-7-8-14(15(9-13)23-5)22-11(3)16-10(2)20-21-18(19)17(16)12(22)4/h7-12,15H,6,13-14H2,1-5H3,(H,29,33)(H,30,31,35);7-13,16H,6,14-15H2,1-5H3,(H,27,29);7-14H,6,15H2,1-5H3,(H,26,28);7-9H,6H2,1-5H3,(H2,19,21).
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine?
6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine has a molecular weight of 1672.06 g/mol, XLogP of 18.75, 27 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;2-[2-[[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]ethyl]-3H-quinazolin-4-one;6-(4-ethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 158251785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).