4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione

C29H25F3N6O3 — CID 167554247

About 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione

4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione (PubChem CID 167554247) has the molecular formula C29H25F3N6O3 and a molecular weight of 562.55 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione.

Molecular Properties

• Compound Name: 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione
• PubChem CID: 167554247
• Molecular Formula: C29H25F3N6O3
• Molecular Weight: 562.55 g/mol
• Exact Mass: 562.19
• IUPAC Name: 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione
• SMILES: O=C1CC(=O)C(c2cnc3ccccn23)=C1c1nn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCCCC1)CC2
• InChI: InChI=1S/C29H25F3N6O3/c30-29(31,32)18-12-17-16-36(28(41)35-7-3-1-4-8-35)10-11-38-27(17)19(13-18)26(34-38)25-22(40)14-21(39)24(25)20-15-33-23-6-2-5-9-37(20)23/h2,5-6,9,12-13,15H,1,3-4,7-8,10-11,14,16H2
• InChIKey: CULNVENWARFQIN-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 92.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.55
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione?

The IUPAC name of 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione (CID 167554247) is 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione.

What is the SMILES notation for 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione?

The canonical SMILES for 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione is O=C1CC(=O)C(c2cnc3ccccn23)=C1c1nn2c3c(cc(C(F)(F)F)cc13)CN(C(=O)N1CCCCC1)CC2.

What is the InChIKey of 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione?

The InChIKey is CULNVENWARFQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N6O3/c30-29(31,32)18-12-17-16-36(28(41)35-7-3-1-4-8-35)10-11-38-27(17)19(13-18)26(34-38)25-22(40)14-21(39)24(25)20-15-33-23-6-2-5-9-37(20)23/h2,5-6,9,12-13,15H,1,3-4,7-8,10-11,14,16H2.

What are the key properties of 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione?

4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione has a molecular weight of 562.55 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 167554247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).