2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide

C24H26FN5O4 — CID 71218048

About 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 71218048) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 71218048
• Molecular Formula: C24H26FN5O4
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.20
• IUPAC Name: 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: COc1nc2ncc(C(=O)C(=O)N(C)C)n2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C24H26FN5O4/c1-28(2)23(33)20(31)19-13-26-24-27-21(34-3)18(14-30(19)24)22(32)29-10-8-16(9-11-29)12-15-4-6-17(25)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3
• InChIKey: BAGKOUDLVSMAMN-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 97.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 71218048) is 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1nc2ncc(C(=O)C(=O)N(C)C)n2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.

What is the InChIKey of 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is BAGKOUDLVSMAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-28(2)23(33)20(31)19-13-26-24-27-21(34-3)18(14-30(19)24)22(32)29-10-8-16(9-11-29)12-15-4-6-17(25)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3.

What are the key properties of 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide?

2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 467.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxyimidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 71218048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).