methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate

C28H23F2N5O4S — CID 167217573

About methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate

methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate (PubChem CID 167217573) has the molecular formula C28H23F2N5O4S and a molecular weight of 563.59 g/mol. Its IUPAC name is methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 167217573
• Molecular Formula: C28H23F2N5O4S
• Molecular Weight: 563.59 g/mol
• Exact Mass: 563.14
• IUPAC Name: methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate
• SMILES: COC(=O)c1csc(-c2c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)n1
• InChI: InChI=1S/C28H23F2N5O4S/c1-14-24(15(2)39-33-14)16-9-10-34-22(11-16)32-25(26(34)27-31-20(13-40-27)28(37)38-3)21-5-4-6-23(36)35(21)17-7-8-18(29)19(30)12-17/h7-13,21H,4-6H2,1-3H3
• InChIKey: IGHWSQTXYBFSPI-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 102.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.59
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate (CID 167217573) is methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccn23)n1.

What is the InChIKey of methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is IGHWSQTXYBFSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O4S/c1-14-24(15(2)39-33-14)16-9-10-34-22(11-16)32-25(26(34)27-31-20(13-40-27)28(37)38-3)21-5-4-6-23(36)35(21)17-7-8-18(29)19(30)12-17/h7-13,21H,4-6H2,1-3H3.

What are the key properties of methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate?

methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 563.59 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 167217573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).