(3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate

C58H60F2N12O9 — CID 160569930

About (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate

(3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (PubChem CID 160569930) has the molecular formula C58H60F2N12O9 and a molecular weight of 1107.19 g/mol. Its IUPAC name is (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

Molecular Properties

• Compound Name: (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
• PubChem CID: 160569930
• Molecular Formula: C58H60F2N12O9
• Molecular Weight: 1107.19 g/mol
• Exact Mass: 1106.46
• IUPAC Name: (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
• SMILES: Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)c(F)c1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)cc1C.Cc1cccc(F)c1COC(=O)N1CCO[C@H](c2nc3ncccc3[nH]2)C1
• InChI: InChI=1S/C20H22N4O3.2C19H19FN4O3/c1-13-5-6-15(10-14(13)2)12-27-20(25)24-8-9-26-17(11-24)19-22-16-4-3-7-21-18(16)23-19;1-12-4-2-5-14(20)13(12)11-27-19(25)24-8-9-26-16(10-24)18-22-15-6-3-7-21-17(15)23-18;1-12-4-5-13(14(20)9-12)11-27-19(25)24-7-8-26-16(10-24)18-22-15-3-2-6-21-17(15)23-18/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,22,23);2-7,16H,8-11H2,1H3,(H,21,22,23);2-6,9,16H,7-8,10-11H2,1H3,(H,21,22,23)/t17-;2*16-/m000/s1
• InChIKey: RAKJXZNAVMKVGS-CAVZTASFSA-N
• XLogP: 9.52
• TPSA: 241.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.19
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?

The IUPAC name of (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (CID 160569930) is (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

What is the SMILES notation for (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?

The canonical SMILES for (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)c(F)c1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)cc1C.Cc1cccc(F)c1COC(=O)N1CCO[C@H](c2nc3ncccc3[nH]2)C1.

What is the InChIKey of (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?

The InChIKey is RAKJXZNAVMKVGS-CAVZTASFSA-N. The full InChI is InChI=1S/C20H22N4O3.2C19H19FN4O3/c1-13-5-6-15(10-14(13)2)12-27-20(25)24-8-9-26-17(11-24)19-22-16-4-3-7-21-18(16)23-19;1-12-4-2-5-14(20)13(12)11-27-19(25)24-8-9-26-16(10-24)18-22-15-6-3-7-21-17(15)23-18;1-12-4-5-13(14(20)9-12)11-27-19(25)24-7-8-26-16(10-24)18-22-15-3-2-6-21-17(15)23-18/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,22,23);2-7,16H,8-11H2,1H3,(H,21,22,23);2-6,9,16H,7-8,10-11H2,1H3,(H,21,22,23)/t17-;2*16-/m000/s1.

What are the key properties of (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?

(3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate has a molecular weight of 1107.19 g/mol, XLogP of 9.52, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-6-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 160569930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).