(2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate

C91H98BrCl5N8O16 — CID 158000488

About (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate

(2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 158000488) has the molecular formula C91H98BrCl5N8O16 and a molecular weight of 1816.99 g/mol. Its IUPAC name is (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 158000488
• Molecular Formula: C91H98BrCl5N8O16
• Molecular Weight: 1816.99 g/mol
• Exact Mass: 1812.47
• IUPAC Name: (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc(C(=O)C=[N+]=[N-])c(C)c1-c1ccc(Cl)cc1.COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc(C(=O)CBr)c(C)c1-c1ccc(Cl)cc1.COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc(C(=O)O)c(C)c1-c1ccc(Cl)cc1.Cc1nc(-c2cn3cc(Cl)ccc3n2)c(C)c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C26H25Cl2N3O3.C22H25BrClNO4.C22H24ClN3O4.C21H24ClNO5/c1-14-21(16-6-8-17(27)9-7-16)22(24(25(32)33)34-26(3,4)5)15(2)29-23(14)19-13-31-12-18(28)10-11-20(31)30-19;1-12-17(14-7-9-15(24)10-8-14)18(13(2)25-19(12)16(26)11-23)20(21(27)28-6)29-22(3,4)5;1-12-17(14-7-9-15(23)10-8-14)18(13(2)26-19(12)16(27)11-25-24)20(21(28)29-6)30-22(3,4)5;1-11-15(13-7-9-14(22)10-8-13)16(12(2)23-17(11)19(24)25)18(20(26)27-6)28-21(3,4)5/h6-13,24H,1-5H3,(H,32,33);7-10,20H,11H2,1-6H3;7-11,20H,1-6H3;7-10,18H,1-6H3,(H,24,25)/t24-;2*20-;18-/m0000/s1
• InChIKey: FDRCHYMLWGQLML-ZCOZIBRGSA-N
• XLogP: 21.83
• TPSA: 329.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1816.99
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The IUPAC name of (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 158000488) is (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

What is the SMILES notation for (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The canonical SMILES for (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc(C(=O)C=[N+]=[N-])c(C)c1-c1ccc(Cl)cc1.COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc(C(=O)CBr)c(C)c1-c1ccc(Cl)cc1.COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc(C(=O)O)c(C)c1-c1ccc(Cl)cc1.Cc1nc(-c2cn3cc(Cl)ccc3n2)c(C)c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O.

What is the InChIKey of (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The InChIKey is FDRCHYMLWGQLML-ZCOZIBRGSA-N. The full InChI is InChI=1S/C26H25Cl2N3O3.C22H25BrClNO4.C22H24ClN3O4.C21H24ClNO5/c1-14-21(16-6-8-17(27)9-7-16)22(24(25(32)33)34-26(3,4)5)15(2)29-23(14)19-13-31-12-18(28)10-11-20(31)30-19;1-12-17(14-7-9-15(24)10-8-14)18(13(2)25-19(12)16(26)11-23)20(21(27)28-6)29-22(3,4)5;1-12-17(14-7-9-15(23)10-8-14)18(13(2)26-19(12)16(27)11-25-24)20(21(28)29-6)30-22(3,4)5;1-11-15(13-7-9-14(22)10-8-13)16(12(2)23-17(11)19(24)25)18(20(26)27-6)28-21(3,4)5/h6-13,24H,1-5H3,(H,32,33);7-10,20H,11H2,1-6H3;7-11,20H,1-6H3;7-10,18H,1-6H3,(H,24,25)/t24-;2*20-;18-/m0000/s1.

What are the key properties of (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

(2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 1816.99 g/mol, XLogP of 21.83, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;4-(4-chlorophenyl)-5-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylic acid;methyl (2S)-2-[6-(2-bromoacetyl)-4-(4-chlorophenyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl (2S)-2-[4-(4-chlorophenyl)-6-(2-diazoacetyl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 158000488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).