4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one

C24H24ClF3N4O2 — CID 123998541

About 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one

4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one (PubChem CID 123998541) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one
• PubChem CID: 123998541
• Molecular Formula: C24H24ClF3N4O2
• Molecular Weight: 492.93 g/mol
• Exact Mass: 492.15
• IUPAC Name: 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one
• SMILES: CC1=C2CC(CN3CCN(C(=O)c4nc5c(C(F)(F)F)cc(C6CC6)cn5c4Cl)CC3=O)CC12
• InChI: InChI=1S/C24H24ClF3N4O2/c1-12-16-6-13(7-17(12)16)9-30-4-5-31(11-19(30)33)23(34)20-21(25)32-10-15(14-2-3-14)8-18(22(32)29-20)24(26,27)28/h8,10,13-14,16H,2-7,9,11H2,1H3
• InChIKey: ANJUIROZGOIUCZ-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 57.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.93
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one?

The IUPAC name of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one (CID 123998541) is 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one.

What is the SMILES notation for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one?

The canonical SMILES for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one is CC1=C2CC(CN3CCN(C(=O)c4nc5c(C(F)(F)F)cc(C6CC6)cn5c4Cl)CC3=O)CC12.

What is the InChIKey of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one?

The InChIKey is ANJUIROZGOIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c1-12-16-6-13(7-17(12)16)9-30-4-5-31(11-19(30)33)23(34)20-21(25)32-10-15(14-2-3-14)8-18(22(32)29-20)24(26,27)28/h8,10,13-14,16H,2-7,9,11H2,1H3.

What are the key properties of 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one?

4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one has a molecular weight of 492.93 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one is sourced from PubChem (CID 123998541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).