5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane

C25H35N7O2 — CID 177159566

About 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane

5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane (PubChem CID 177159566) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane.

Molecular Properties

• Compound Name: 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane
• PubChem CID: 177159566
• Molecular Formula: C25H35N7O2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.29
• IUPAC Name: 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane
• SMILES: CCC.CCCC(OC)n1ncc2cc(-c3cnc4cc(OC)c(C5CC5)nn34)nc(NC)c21
• InChI: InChI=1S/C22H27N7O2.C3H8/c1-5-6-19(31-4)29-21-14(11-25-29)9-15(26-22(21)23-2)16-12-24-18-10-17(30-3)20(13-7-8-13)27-28(16)18;1-3-2/h9-13,19H,5-8H2,1-4H3,(H,23,26);3H2,1-2H3
• InChIKey: WXISIMWKVYELJW-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 91.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane?

The IUPAC name of 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane (CID 177159566) is 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane.

What is the SMILES notation for 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane?

The canonical SMILES for 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane is CCC.CCCC(OC)n1ncc2cc(-c3cnc4cc(OC)c(C5CC5)nn34)nc(NC)c21.

What is the InChIKey of 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane?

The InChIKey is WXISIMWKVYELJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2.C3H8/c1-5-6-19(31-4)29-21-14(11-25-29)9-15(26-22(21)23-2)16-12-24-18-10-17(30-3)20(13-7-8-13)27-28(16)18;1-3-2/h9-13,19H,5-8H2,1-4H3,(H,23,26);3H2,1-2H3.

What are the key properties of 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane?

5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane has a molecular weight of 465.60 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-1-(1-methoxybutyl)-N-methylpyrazolo[3,4-c]pyridin-7-amine;propane is sourced from PubChem (CID 177159566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).