[(2S)-2-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C25H25FN4O2S — CID 25164940

About [(2S)-2-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25164940) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is [(2S)-2-[(6-fluoro-8-methoxyimidazo[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-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 25164940
• Molecular Formula: C25H25FN4O2S
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.17
• IUPAC Name: [(2S)-2-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• SMILES: COc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc12
• InChI: InChI=1S/C25H25FN4O2S/c1-16-27-22(23(33-16)17-8-4-3-5-9-17)25(31)30-11-7-6-10-20(30)13-19-15-29-14-18(26)12-21(32-2)24(29)28-19/h3-5,8-9,12,14-15,20H,6-7,10-11,13H2,1-2H3/t20-/m0/s1
• InChIKey: SEWDPXFJWCANQG-FQEVSTJZSA-N
• XLogP: 5.15
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(6-fluoro-8-methoxyimidazo[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-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25164940) is [(2S)-2-[(6-fluoro-8-methoxyimidazo[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-[(6-fluoro-8-methoxyimidazo[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-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is COc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc12.

What is the InChIKey of [(2S)-2-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The InChIKey is SEWDPXFJWCANQG-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c1-16-27-22(23(33-16)17-8-4-3-5-9-17)25(31)30-11-7-6-10-20(30)13-19-15-29-14-18(26)12-21(32-2)24(29)28-19/h3-5,8-9,12,14-15,20H,6-7,10-11,13H2,1-2H3/t20-/m0/s1.

What are the key properties of [(2S)-2-[(6-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

[(2S)-2-[(6-fluoro-8-methoxyimidazo[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 464.57 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(6-fluoro-8-methoxyimidazo[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 25164940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).