5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C51H52BF6N7O4 — CID 159079897

About 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 159079897) has the molecular formula C51H52BF6N7O4 and a molecular weight of 951.82 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 159079897
• Molecular Formula: C51H52BF6N7O4
• Molecular Weight: 951.82 g/mol
• Exact Mass: 951.41
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: CC1(C)OB(c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)OC1(C)C.O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4ccc(N5CCCCC5)nn4)ccn23)c1
• InChI: InChI=1S/C27H26F3N5O.C24H26BF3N2O3/c28-27(29,30)11-9-22(36)16-19-5-4-6-21(15-19)24-18-31-26-17-20(10-14-35(24)26)23-7-8-25(33-32-23)34-12-2-1-3-13-34;1-22(2)23(3,4)33-25(32-22)18-9-11-30-20(15-29-21(30)14-18)17-7-5-6-16(12-17)13-19(31)8-10-24(26,27)28/h4-8,10,14-15,17-18H,1-3,9,11-13,16H2;5-7,9,11-12,14-15H,8,10,13H2,1-4H3
• InChIKey: KASKJJGDWBPBJN-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 116.22 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.82
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 159079897) is 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is CC1(C)OB(c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)OC1(C)C.O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4ccc(N5CCCCC5)nn4)ccn23)c1.

What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The InChIKey is KASKJJGDWBPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O.C24H26BF3N2O3/c28-27(29,30)11-9-22(36)16-19-5-4-6-21(15-19)24-18-31-26-17-20(10-14-35(24)26)23-7-8-25(33-32-23)34-12-2-1-3-13-34;1-22(2)23(3,4)33-25(32-22)18-9-11-30-20(15-29-21(30)14-18)17-7-5-6-16(12-17)13-19(31)8-10-24(26,27)28/h4-8,10,14-15,17-18H,1-3,9,11-13,16H2;5-7,9,11-12,14-15H,8,10,13H2,1-4H3.

What are the key properties of 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 951.82 g/mol, XLogP of 10.66, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,5-trifluoro-1-[3-[7-(6-piperidin-1-ylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 159079897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).