3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol

C43H50F6N10O4 — CID 157053636

About 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol

3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol (PubChem CID 157053636) has the molecular formula C43H50F6N10O4 and a molecular weight of 884.93 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol.

Molecular Properties

• Compound Name: 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol
• PubChem CID: 157053636
• Molecular Formula: C43H50F6N10O4
• Molecular Weight: 884.93 g/mol
• Exact Mass: 884.39
• IUPAC Name: 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol
• SMILES: CN1CCC(CCNc2ccc3ncc(-c4cc(OC(F)(F)F)ccc4O)n3n2)CC1.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(NCCC3CCN(C)CC3)nn12
• InChI: InChI=1S/C22H26F3N5O2.C21H24F3N5O2/c1-29-11-8-15(9-12-29)7-10-26-20-5-6-21-27-14-18(30(21)28-20)17-13-16(32-22(23,24)25)3-4-19(17)31-2;1-28-10-7-14(8-11-28)6-9-25-19-4-5-20-26-13-17(29(20)27-19)16-12-15(2-3-18(16)30)31-21(22,23)24/h3-6,13-15H,7-12H2,1-2H3,(H,26,28);2-5,12-14,30H,6-11H2,1H3,(H,25,27)
• InChIKey: AAMMGIBVKIQEJF-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 138.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.93
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol?

The IUPAC name of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol (CID 157053636) is 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol.

What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol?

The canonical SMILES for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol is CN1CCC(CCNc2ccc3ncc(-c4cc(OC(F)(F)F)ccc4O)n3n2)CC1.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(NCCC3CCN(C)CC3)nn12.

What is the InChIKey of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol?

The InChIKey is AAMMGIBVKIQEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2.C21H24F3N5O2/c1-29-11-8-15(9-12-29)7-10-26-20-5-6-21-27-14-18(30(21)28-20)17-13-16(32-22(23,24)25)3-4-19(17)31-2;1-28-10-7-14(8-11-28)6-9-25-19-4-5-20-26-13-17(29(20)27-19)16-12-15(2-3-18(16)30)31-21(22,23)24/h3-6,13-15H,7-12H2,1-2H3,(H,26,28);2-5,12-14,30H,6-11H2,1H3,(H,25,27).

What are the key properties of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol?

3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol has a molecular weight of 884.93 g/mol, XLogP of 8.59, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-[6-[2-(1-methylpiperidin-4-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 157053636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).