6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C43H39ClF6N8O5 — CID 161226807

About 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 161226807) has the molecular formula C43H39ClF6N8O5 and a molecular weight of 897.28 g/mol. Its IUPAC name is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

• Compound Name: 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
• PubChem CID: 161226807
• Molecular Formula: C43H39ClF6N8O5
• Molecular Weight: 897.28 g/mol
• Exact Mass: 896.26
• IUPAC Name: 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
• SMILES: FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.OCc1cccc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C5OCCO5)cc4)n3n2)c1
• InChI: InChI=1S/C25H23F3N4O3.C18H16ClF3N4O2/c26-25(27,28)8-9-29-21-13-20(19-3-1-2-16(12-19)15-33)31-32-22(14-30-23(21)32)17-4-6-18(7-5-17)24-34-10-11-35-24;19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h1-7,12-14,24,29,33H,8-11,15H2;1-4,9-10,17,23H,5-8H2
• InChIKey: UYFUBCLXBSOILD-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 141.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	897.28
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?

The IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 161226807) is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

What is the SMILES notation for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?

The canonical SMILES for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.OCc1cccc(-c2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C5OCCO5)cc4)n3n2)c1.

What is the InChIKey of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?

The InChIKey is UYFUBCLXBSOILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3.C18H16ClF3N4O2/c26-25(27,28)8-9-29-21-13-20(19-3-1-2-16(12-19)15-33)31-32-22(14-30-23(21)32)17-4-6-18(7-5-17)24-34-10-11-35-24;19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h1-7,12-14,24,29,33H,8-11,15H2;1-4,9-10,17,23H,5-8H2.

What are the key properties of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?

6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 897.28 g/mol, XLogP of 9.42, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 161226807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).