2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone

C109H123F7N26O19 — CID 158604110

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone (PubChem CID 158604110) has the molecular formula C109H123F7N26O19 and a molecular weight of 2234.33 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone
• PubChem CID: 158604110
• Molecular Formula: C109H123F7N26O19
• Molecular Weight: 2234.33 g/mol
• Exact Mass: 2232.93
• IUPAC Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone
• SMILES: COC1(Cc2nccn2C)CN(C(=O)C(F)(F)F)C1.COC1(Cc2nccn2C)CN(C(=O)Cc2nc(-c3ccc(F)cc3)ccc2N)C1.COC1(Cc2nccn2C)CN(C(=O)Cc2nc(-c3ccc(F)cc3)ccc2[N+](=O)[O-])C1.COC1(Cc2nccn2C)CN(C(=O)OC(C)(C)C)C1.Cn1ccnc1CC1(O)CN(C(=O)OC(C)(C)C)C1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])n1ccnc1
• InChI: InChI=1S/C22H22FN5O4.C22H24FN5O2.C16H11FN4O3.C14H23N3O3.C13H21N3O3.C11H14F3N3O2.C11H8FN3O2/c1-26-10-9-24-20(26)12-22(32-2)13-27(14-22)21(29)11-18-19(28(30)31)8-7-17(25-18)15-3-5-16(23)6-4-15;1-27-10-9-25-20(27)12-22(30-2)13-28(14-22)21(29)11-19-17(24)7-8-18(26-19)15-3-5-16(23)6-4-15;17-12-3-1-11(2-4-12)13-5-6-15(21(23)24)14(19-13)9-16(22)20-8-7-18-10-20;1-13(2,3)20-12(18)17-9-14(10-17,19-5)8-11-15-6-7-16(11)4;1-12(2,3)19-11(17)16-8-13(18,9-16)7-10-14-5-6-15(10)4;1-16-4-3-15-8(16)5-10(19-2)6-17(7-10)9(18)11(12,13)14;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9/h3-10H,11-14H2,1-2H3;3-10H,11-14,24H2,1-2H3;1-8,10H,9H2;6-7H,8-10H2,1-5H3;5-6,18H,7-9H2,1-4H3;3-4H,5-7H2,1-2H3;1-6H,(H2,13,14)
• InChIKey: HVZRRIVBABFTOO-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 534.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.33
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone?

The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone (CID 158604110) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone.

What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone?

The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone is COC1(Cc2nccn2C)CN(C(=O)C(F)(F)F)C1.COC1(Cc2nccn2C)CN(C(=O)Cc2nc(-c3ccc(F)cc3)ccc2N)C1.COC1(Cc2nccn2C)CN(C(=O)Cc2nc(-c3ccc(F)cc3)ccc2[N+](=O)[O-])C1.COC1(Cc2nccn2C)CN(C(=O)OC(C)(C)C)C1.Cn1ccnc1CC1(O)CN(C(=O)OC(C)(C)C)C1.Nc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])n1ccnc1.

What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone?

The InChIKey is HVZRRIVBABFTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O4.C22H24FN5O2.C16H11FN4O3.C14H23N3O3.C13H21N3O3.C11H14F3N3O2.C11H8FN3O2/c1-26-10-9-24-20(26)12-22(32-2)13-27(14-22)21(29)11-18-19(28(30)31)8-7-17(25-18)15-3-5-16(23)6-4-15;1-27-10-9-25-20(27)12-22(30-2)13-28(14-22)21(29)11-19-17(24)7-8-18(26-19)15-3-5-16(23)6-4-15;17-12-3-1-11(2-4-12)13-5-6-15(21(23)24)14(19-13)9-16(22)20-8-7-18-10-20;1-13(2,3)20-12(18)17-9-14(10-17,19-5)8-11-15-6-7-16(11)4;1-12(2,3)19-11(17)16-8-13(18,9-16)7-10-14-5-6-15(10)4;1-16-4-3-15-8(16)5-10(19-2)6-17(7-10)9(18)11(12,13)14;12-8-3-1-7(2-4-8)9-5-6-10(15(16)17)11(13)14-9/h3-10H,11-14H2,1-2H3;3-10H,11-14,24H2,1-2H3;1-8,10H,9H2;6-7H,8-10H2,1-5H3;5-6,18H,7-9H2,1-4H3;3-4H,5-7H2,1-2H3;1-6H,(H2,13,14).

What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone?

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone has a molecular weight of 2234.33 g/mol, XLogP of 13.31, 27 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;tert-butyl 3-hydroxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxylate;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone;2,2,2-trifluoro-1-[3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 158604110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).