6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane

C102H131F2N15O19S2 — CID 162001361

About 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane

6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane (PubChem CID 162001361) has the molecular formula C102H131F2N15O19S2 and a molecular weight of 1973.39 g/mol. Its IUPAC name is 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane.

Molecular Properties

• Compound Name: 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane
• PubChem CID: 162001361
• Molecular Formula: C102H131F2N15O19S2
• Molecular Weight: 1973.39 g/mol
• Exact Mass: 1971.92
• IUPAC Name: 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane
• SMILES: C.CC(=O)CSC1CC(=O)N(CC(=O)CCCOc2ccc3c(C4CCN(CCc5c(C)nc6n(c5=O)CCCC6O)CC4)noc3c2)C1=O.CC(=O)CSC1CC(=O)N(CCC(=O)CCCCOC2CCCn3c2nc(C)c(CCN2CCC(c4noc5cc(F)ccc45)CC2)c3=O)C1=O.Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2OCCCCCC(N)=O
• InChI: InChI=1S/C37H46FN5O7S.C35H43N5O8S.C29H38FN5O4.CH4/c1-23(44)22-51-32-21-33(46)42(37(32)48)18-12-27(45)6-3-4-19-49-30-7-5-14-43-35(30)39-24(2)28(36(43)47)13-17-41-15-10-25(11-16-41)34-29-9-8-26(38)20-31(29)50-40-34;1-21(41)20-49-30-18-31(44)40(35(30)46)19-24(42)5-4-16-47-25-7-8-27-29(17-25)48-37-32(27)23-9-13-38(14-10-23)15-11-26-22(2)36-33-28(43)6-3-12-39(33)34(26)45;1-19-22(29(37)35-13-5-6-24(28(35)32-19)38-17-4-2-3-7-26(31)36)12-16-34-14-10-20(11-15-34)27-23-9-8-21(30)18-25(23)39-33-27;/h8-9,20,25,30,32H,3-7,10-19,21-22H2,1-2H3;7-8,17,23,28,30,43H,3-6,9-16,18-20H2,1-2H3;8-9,18,20,24H,2-7,10-17H2,1H3,(H2,31,36);1H4
• InChIKey: YSGJPIWJKMOZQW-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 426.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.39
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane?

The IUPAC name of 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane (CID 162001361) is 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane.

What is the SMILES notation for 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane?

The canonical SMILES for 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane is C.CC(=O)CSC1CC(=O)N(CC(=O)CCCOc2ccc3c(C4CCN(CCc5c(C)nc6n(c5=O)CCCC6O)CC4)noc3c2)C1=O.CC(=O)CSC1CC(=O)N(CCC(=O)CCCCOC2CCCn3c2nc(C)c(CCN2CCC(c4noc5cc(F)ccc45)CC2)c3=O)C1=O.Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2OCCCCCC(N)=O.

What is the InChIKey of 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane?

The InChIKey is YSGJPIWJKMOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46FN5O7S.C35H43N5O8S.C29H38FN5O4.CH4/c1-23(44)22-51-32-21-33(46)42(37(32)48)18-12-27(45)6-3-4-19-49-30-7-5-14-43-35(30)39-24(2)28(36(43)47)13-17-41-15-10-25(11-16-41)34-29-9-8-26(38)20-31(29)50-40-34;1-21(41)20-49-30-18-31(44)40(35(30)46)19-24(42)5-4-16-47-25-7-8-27-29(17-25)48-37-32(27)23-9-13-38(14-10-23)15-11-26-22(2)36-33-28(43)6-3-12-39(33)34(26)45;1-19-22(29(37)35-13-5-6-24(28(35)32-19)38-17-4-2-3-7-26(31)36)12-16-34-14-10-20(11-15-34)27-23-9-8-21(30)18-25(23)39-33-27;/h8-9,20,25,30,32H,3-7,10-19,21-22H2,1-2H3;7-8,17,23,28,30,43H,3-6,9-16,18-20H2,1-2H3;8-9,18,20,24H,2-7,10-17H2,1H3,(H2,31,36);1H4.

What are the key properties of 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane?

6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane has a molecular weight of 1973.39 g/mol, XLogP of 12.59, 41 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]hexanamide;1-[7-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxy]-3-oxoheptyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;1-[5-[[3-[1-[2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]-1,2-benzoxazol-6-yl]oxy]-2-oxopentyl]-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;methane is sourced from PubChem (CID 162001361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).