6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one

C96H119N19O9 — CID 159905823

About 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 159905823) has the molecular formula C96H119N19O9 and a molecular weight of 1683.13 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

• Compound Name: 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one
• PubChem CID: 159905823
• Molecular Formula: C96H119N19O9
• Molecular Weight: 1683.13 g/mol
• Exact Mass: 1681.94
• IUPAC Name: 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one
• SMILES: CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC5(CC4)OCCO5)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN4CCCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4nc5ccccc5c(=O)[nH]4)c3c2C)cc1
• InChI: InChI=1S/C26H26N6O2.C25H32N4O4.C24H33N5O2.C21H28N4O/c1-5-34-19-12-10-18(11-13-19)32-16(3)23-15(2)30-31-25(24(23)17(32)4)27-14-22-28-21-9-7-6-8-20(21)26(33)29-22;1-6-31-19-7-8-20(21(15-19)30-5)29-17(3)22-16(2)26-27-24(23(22)18(29)4)28-11-9-25(10-12-28)32-13-14-33-25;1-6-31-19-9-10-20(21(15-19)30-5)29-17(3)22-16(2)26-27-24(23(22)18(29)4)25-11-14-28-12-7-8-13-28;1-7-26-18-10-8-17(9-11-18)25-15(5)19-14(4)23-24-21(20(19)16(25)6)22-12-13(2)3/h6-13H,5,14H2,1-4H3,(H,27,31)(H,28,29,33);7-8,15H,6,9-14H2,1-5H3;9-10,15H,6-8,11-14H2,1-5H3,(H,25,27);8-11,13H,7,12H2,1-6H3,(H,22,24)
• InChIKey: NWOCBBPPGRSHOZ-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 285.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1683.13
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one?

The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one (CID 159905823) is 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one.

What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one?

The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one is CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC5(CC4)OCCO5)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCC(C)C)c3c2C)cc1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCCN4CCCC4)c3c2C)c(OC)c1.CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4nc5ccccc5c(=O)[nH]4)c3c2C)cc1.

What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one?

The InChIKey is NWOCBBPPGRSHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H32N4O4.C24H33N5O2.C21H28N4O/c1-5-34-19-12-10-18(11-13-19)32-16(3)23-15(2)30-31-25(24(23)17(32)4)27-14-22-28-21-9-7-6-8-20(21)26(33)29-22;1-6-31-19-7-8-20(21(15-19)30-5)29-17(3)22-16(2)26-27-24(23(22)18(29)4)28-11-9-25(10-12-28)32-13-14-33-25;1-6-31-19-9-10-20(21(15-19)30-5)29-17(3)22-16(2)26-27-24(23(22)18(29)4)25-11-14-28-12-7-8-13-28;1-7-26-18-10-8-17(9-11-18)25-15(5)19-14(4)23-24-21(20(19)16(25)6)22-12-13(2)3/h6-13H,5,14H2,1-4H3,(H,27,31)(H,28,29,33);7-8,15H,6,9-14H2,1-5H3;9-10,15H,6-8,11-14H2,1-5H3,(H,25,27);8-11,13H,7,12H2,1-6H3,(H,22,24).

What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one?

6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 1683.13 g/mol, XLogP of 17.76, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;8-[6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-amine;2-[[[6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 159905823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).