5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one

C29H26F4N6O2 — CID 158218402

About 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one

5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one (PubChem CID 158218402) has the molecular formula C29H26F4N6O2 and a molecular weight of 566.56 g/mol. Its IUPAC name is 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one.

Molecular Properties

• Compound Name: 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
• PubChem CID: 158218402
• Molecular Formula: C29H26F4N6O2
• Molecular Weight: 566.56 g/mol
• Exact Mass: 566.21
• IUPAC Name: 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
• SMILES: CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CN4)c4cc(F)cc(c43)C2)CC(F)(F)C1
• InChI: InChI=1S/C29H26F4N6O2/c1-28(31)14-29(32,33)16-38(15-28)27(41)37-7-6-36-13-20(19-9-18(30)8-17(12-37)26(19)36)25-24(22(40)11-35-25)21-10-34-23-4-2-3-5-39(21)23/h2-5,8-10,13,35H,6-7,11-12,14-16H2,1H3
• InChIKey: XYTMLGJUUPJWTN-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 74.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.56
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

The IUPAC name of 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one (CID 158218402) is 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one.

What is the SMILES notation for 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

The canonical SMILES for 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one is CC1(F)CN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)C(=O)CN4)c4cc(F)cc(c43)C2)CC(F)(F)C1.

What is the InChIKey of 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

The InChIKey is XYTMLGJUUPJWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F4N6O2/c1-28(31)14-29(32,33)16-38(15-28)27(41)37-7-6-36-13-20(19-9-18(30)8-17(12-37)26(19)36)25-24(22(40)11-35-25)21-10-34-23-4-2-3-5-39(21)23/h2-5,8-10,13,35H,6-7,11-12,14-16H2,1H3.

What are the key properties of 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one?

5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one has a molecular weight of 566.56 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-fluoro-10-(3,3,5-trifluoro-5-methylpiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 158218402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).