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

C26H27FN4O2S — CID 25164942

About [(2S)-2-[[6-fluoro-8-(methoxymethyl)imidazo[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-(methoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25164942) has the molecular formula C26H27FN4O2S and a molecular weight of 478.59 g/mol. Its IUPAC name is [(2S)-2-[[6-fluoro-8-(methoxymethyl)imidazo[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-(methoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 25164942
• Molecular Formula: C26H27FN4O2S
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.18
• IUPAC Name: [(2S)-2-[[6-fluoro-8-(methoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• SMILES: COCc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc12
• InChI: InChI=1S/C26H27FN4O2S/c1-17-28-23(24(34-17)18-8-4-3-5-9-18)26(32)31-11-7-6-10-22(31)13-21-15-30-14-20(27)12-19(16-33-2)25(30)29-21/h3-5,8-9,12,14-15,22H,6-7,10-11,13,16H2,1-2H3/t22-/m0/s1
• InChIKey: AIHSGIRKQWWKGD-QFIPXVFZSA-N
• XLogP: 5.29
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[6-fluoro-8-(methoxymethyl)imidazo[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-(methoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25164942) is [(2S)-2-[[6-fluoro-8-(methoxymethyl)imidazo[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-(methoxymethyl)imidazo[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-(methoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is COCc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc12.

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

The InChIKey is AIHSGIRKQWWKGD-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27FN4O2S/c1-17-28-23(24(34-17)18-8-4-3-5-9-18)26(32)31-11-7-6-10-22(31)13-21-15-30-14-20(27)12-19(16-33-2)25(30)29-21/h3-5,8-9,12,14-15,22H,6-7,10-11,13,16H2,1-2H3/t22-/m0/s1.

What are the key properties of [(2S)-2-[[6-fluoro-8-(methoxymethyl)imidazo[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-(methoxymethyl)imidazo[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 478.59 g/mol, XLogP of 5.29, 6 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-(methoxymethyl)imidazo[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 25164942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).