methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C30H32F2N4O6S — CID 175577640

About methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 175577640) has the molecular formula C30H32F2N4O6S and a molecular weight of 614.67 g/mol. Its IUPAC name is methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• PubChem CID: 175577640
• Molecular Formula: C30H32F2N4O6S
• Molecular Weight: 614.67 g/mol
• Exact Mass: 614.20
• IUPAC Name: methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• SMILES: COC(=O)N1CCOC(Cc2c(-c3c(F)cc(S(=O)(=O)N(C)Cc4ccc(OC)cc4)cc3F)nc3cc(C)ccn23)C1
• InChI: InChI=1S/C30H32F2N4O6S/c1-19-9-10-36-26(14-22-18-35(11-12-42-22)30(37)41-4)29(33-27(36)13-19)28-24(31)15-23(16-25(28)32)43(38,39)34(2)17-20-5-7-21(40-3)8-6-20/h5-10,13,15-16,22H,11-12,14,17-18H2,1-4H3
• InChIKey: HDIFGMBOLWUCHM-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 102.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.67
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The IUPAC name of methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 175577640) is methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

What is the SMILES notation for methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The canonical SMILES for methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCOC(Cc2c(-c3c(F)cc(S(=O)(=O)N(C)Cc4ccc(OC)cc4)cc3F)nc3cc(C)ccn23)C1.

What is the InChIKey of methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The InChIKey is HDIFGMBOLWUCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O6S/c1-19-9-10-36-26(14-22-18-35(11-12-42-22)30(37)41-4)29(33-27(36)13-19)28-24(31)15-23(16-25(28)32)43(38,39)34(2)17-20-5-7-21(40-3)8-6-20/h5-10,13,15-16,22H,11-12,14,17-18H2,1-4H3.

What are the key properties of methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 614.67 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[2,6-difluoro-4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 175577640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).