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

C56H55Cl2FN12O9 — CID 159355677

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

(2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (PubChem CID 159355677) has the molecular formula C56H55Cl2FN12O9 and a molecular weight of 1130.03 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

Molecular Properties

• Compound Name: (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
• PubChem CID: 159355677
• Molecular Formula: C56H55Cl2FN12O9
• Molecular Weight: 1130.03 g/mol
• Exact Mass: 1128.36
• IUPAC Name: (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-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(Cl)c1.Cc1cccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)c1F.O=C(OCc1ccccc1Cl)N1CCO[C@H](c2nc3ncccc3[nH]2)C1
• InChI: InChI=1S/C19H19ClN4O3.C19H19FN4O3.C18H17ClN4O3/c1-12-4-5-13(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;1-12-4-2-5-13(16(12)20)11-27-19(25)24-8-9-26-15(10-24)18-22-14-6-3-7-21-17(14)23-18;19-13-5-2-1-4-12(13)11-26-18(24)23-8-9-25-15(10-23)17-21-14-6-3-7-20-16(14)22-17/h2-6,9,16H,7-8,10-11H2,1H3,(H,21,22,23);2-7,15H,8-11H2,1H3,(H,21,22,23);1-7,15H,8-11H2,(H,20,21,22)/t16-;2*15-/m000/s1
• InChIKey: LHWSXXPGECIGFJ-NSFFOGIESA-N
• XLogP: 10.07
• TPSA: 241.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.03
LogP ≤ 5	10.07
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 (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate?

The IUPAC name of (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate (CID 159355677) is (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate.

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

The canonical SMILES for (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-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(Cl)c1.Cc1cccc(COC(=O)N2CCO[C@H](c3nc4ncccc4[nH]3)C2)c1F.O=C(OCc1ccccc1Cl)N1CCO[C@H](c2nc3ncccc3[nH]2)C1.

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

The InChIKey is LHWSXXPGECIGFJ-NSFFOGIESA-N. The full InChI is InChI=1S/C19H19ClN4O3.C19H19FN4O3.C18H17ClN4O3/c1-12-4-5-13(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;1-12-4-2-5-13(16(12)20)11-27-19(25)24-8-9-26-15(10-24)18-22-14-6-3-7-21-17(14)23-18;19-13-5-2-1-4-12(13)11-26-18(24)23-8-9-25-15(10-23)17-21-14-6-3-7-20-16(14)22-17/h2-6,9,16H,7-8,10-11H2,1H3,(H,21,22,23);2-7,15H,8-11H2,1H3,(H,21,22,23);1-7,15H,8-11H2,(H,20,21,22)/t16-;2*15-/m000/s1.

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

(2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate has a molecular weight of 1130.03 g/mol, XLogP of 10.07, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-4-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate;(2-fluoro-3-methylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 159355677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).