[(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C24H23FN4OS — CID 25164341

About [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25164341) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 25164341
• Molecular Formula: C24H23FN4OS
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.16
• IUPAC Name: [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• SMILES: Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3c(F)cccc3n2)c(-c2ccccc2)s1
• InChI: InChI=1S/C24H23FN4OS/c1-16-26-22(23(31-16)17-8-3-2-4-9-17)24(30)28-13-6-5-10-19(28)14-18-15-29-20(25)11-7-12-21(29)27-18/h2-4,7-9,11-12,15,19H,5-6,10,13-14H2,1H3/t19-/m0/s1
• InChIKey: KYLXHEGTPLXMQO-IBGZPJMESA-N
• XLogP: 5.14
• TPSA: 50.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25164341) is [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3c(F)cccc3n2)c(-c2ccccc2)s1.

What is the InChIKey of [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The InChIKey is KYLXHEGTPLXMQO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23FN4OS/c1-16-26-22(23(31-16)17-8-3-2-4-9-17)24(30)28-13-6-5-10-19(28)14-18-15-29-20(25)11-7-12-21(29)27-18/h2-4,7-9,11-12,15,19H,5-6,10,13-14H2,1H3/t19-/m0/s1.

What are the key properties of [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

[(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 434.54 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25164341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).