2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione

C113H137N17O20S3 — CID 158514170

About 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione

2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione (PubChem CID 158514170) has the molecular formula C113H137N17O20S3 and a molecular weight of 2149.64 g/mol. Its IUPAC name is 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione.

Molecular Properties

• Compound Name: 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione
• PubChem CID: 158514170
• Molecular Formula: C113H137N17O20S3
• Molecular Weight: 2149.64 g/mol
• Exact Mass: 2147.94
• IUPAC Name: 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione
• SMILES: COc1ccccc1[C@H](Cc1cc(CCS(C)(=O)=O)c(=S)n2cc(-c3ncc[nH]3)sc12)OC1CCOCC1.COc1ccccc1[C@H](Cc1cn(C(C)(C)C(N)=O)c(=O)n2c(C)c(-c3ncco3)nc12)OC1CCCCC1.COc1ccccc1[C@H](Cn1cc(C(C)(C)C(N)=O)c(=O)n2cc(C3CCC3)nc12)OC1CCCCC1.COc1cccnc1[C@H](Cc1cn(C(C)(C)C(=O)O)c(=O)n2c(C)c(-c3ncco3)nc12)OC1CCCCC1
• InChI: InChI=1S/C29H35N5O5.C29H38N4O4.C28H33N5O6.C27H31N3O5S3/c1-18-24(26-31-14-15-38-26)32-25-19(17-33(28(36)34(18)25)29(2,3)27(30)35)16-23(39-20-10-6-5-7-11-20)21-12-8-9-13-22(21)37-4;1-29(2,27(30)35)22-16-32(28-31-23(19-10-9-11-19)17-33(28)26(22)34)18-25(37-20-12-5-4-6-13-20)21-14-7-8-15-24(21)36-3;1-17-22(25-30-13-14-38-25)31-24-18(16-32(27(36)33(17)24)28(2,3)26(34)35)15-21(39-19-9-6-5-7-10-19)23-20(37-4)11-8-12-29-23;1-33-22-6-4-3-5-21(22)23(35-20-7-12-34-13-8-20)16-19-15-18(9-14-38(2,31)32)26(36)30-17-24(37-27(19)30)25-28-10-11-29-25/h8-9,12-15,17,20,23H,5-7,10-11,16H2,1-4H3,(H2,30,35);7-8,14-17,19-20,25H,4-6,9-13,18H2,1-3H3,(H2,30,35);8,11-14,16,19,21H,5-7,9-10,15H2,1-4H3,(H,34,35);3-6,10-11,15,17,20,23H,7-9,12-14,16H2,1-2H3,(H,28,29)/t23-;25-;21-;23-/m0000/s1
• InChIKey: HLKRMCLKVIDXKO-AACZSXRLSA-N
• XLogP: 18.46
• TPSA: 456.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.64
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione?

The IUPAC name of 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione (CID 158514170) is 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione.

What is the SMILES notation for 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione?

The canonical SMILES for 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione is COc1ccccc1[C@H](Cc1cc(CCS(C)(=O)=O)c(=S)n2cc(-c3ncc[nH]3)sc12)OC1CCOCC1.COc1ccccc1[C@H](Cc1cn(C(C)(C)C(N)=O)c(=O)n2c(C)c(-c3ncco3)nc12)OC1CCCCC1.COc1ccccc1[C@H](Cn1cc(C(C)(C)C(N)=O)c(=O)n2cc(C3CCC3)nc12)OC1CCCCC1.COc1cccnc1[C@H](Cc1cn(C(C)(C)C(=O)O)c(=O)n2c(C)c(-c3ncco3)nc12)OC1CCCCC1.

What is the InChIKey of 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione?

The InChIKey is HLKRMCLKVIDXKO-AACZSXRLSA-N. The full InChI is InChI=1S/C29H35N5O5.C29H38N4O4.C28H33N5O6.C27H31N3O5S3/c1-18-24(26-31-14-15-38-26)32-25-19(17-33(28(36)34(18)25)29(2,3)27(30)35)16-23(39-20-10-6-5-7-11-20)21-12-8-9-13-22(21)37-4;1-29(2,27(30)35)22-16-32(28-31-23(19-10-9-11-19)17-33(28)26(22)34)18-25(37-20-12-5-4-6-13-20)21-14-7-8-15-24(21)36-3;1-17-22(25-30-13-14-38-25)31-24-18(16-32(27(36)33(17)24)28(2,3)26(34)35)15-21(39-19-9-6-5-7-10-19)23-20(37-4)11-8-12-29-23;1-33-22-6-4-3-5-21(22)23(35-20-7-12-34-13-8-20)16-19-15-18(9-14-38(2,31)32)26(36)30-17-24(37-27(19)30)25-28-10-11-29-25/h8-9,12-15,17,20,23H,5-7,10-11,16H2,1-4H3,(H2,30,35);7-8,14-17,19-20,25H,4-6,9-13,18H2,1-3H3,(H2,30,35);8,11-14,16,19,21H,5-7,9-10,15H2,1-4H3,(H,34,35);3-6,10-11,15,17,20,23H,7-9,12-14,16H2,1-2H3,(H,28,29)/t23-;25-;21-;23-/m0000/s1.

What are the key properties of 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione?

2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione has a molecular weight of 2149.64 g/mol, XLogP of 18.46, 37 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-cyclobutyl-8-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-oxoimidazo[1,2-a]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide;2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanoic acid;2-(1H-imidazol-2-yl)-8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(2-methylsulfonylethyl)-[1,3]thiazolo[3,2-a]pyridine-5-thione is sourced from PubChem (CID 158514170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).