[2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C113H119F7N16O15 — CID 159505865

About [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 159505865) has the molecular formula C113H119F7N16O15 and a molecular weight of 2074.28 g/mol. Its IUPAC name is [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
• PubChem CID: 159505865
• Molecular Formula: C113H119F7N16O15
• Molecular Weight: 2074.28 g/mol
• Exact Mass: 2072.89
• IUPAC Name: [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
• SMILES: CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ccnn4C)CC3(C)C)oc12.Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)C)c4o3)C(C)(C)C2)on1.Cc1cnoc1C(=O)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)C)c3o2)C(C)(C)C1
• InChI: InChI=1S/C29H31F4N3O4.C28H30FN5O3.2C28H29FN4O4/c1-16(2)20-11-21(17-5-7-19(30)8-6-17)34-22-12-23(40-24(20)22)26(38)36-10-9-35(15-27(36,3)4)25(37)18-13-28(39,14-18)29(31,32)33;1-17(2)20-14-21(18-6-8-19(29)9-7-18)31-22-15-24(37-25(20)22)27(36)34-13-12-33(16-28(34,3)4)26(35)23-10-11-30-32(23)5;1-16(2)20-12-21(18-6-8-19(29)9-7-18)31-22-13-23(36-25(20)22)26(34)33-11-10-32(15-28(33,4)5)27(35)24-17(3)14-30-37-24;1-16(2)20-13-21(18-6-8-19(29)9-7-18)30-22-14-23(36-25(20)22)27(35)33-11-10-32(15-28(33,4)5)26(34)24-12-17(3)31-37-24/h5-8,11-12,16,18,39H,9-10,13-15H2,1-4H3;6-11,14-15,17H,12-13,16H2,1-5H3;2*6-9,12-14,16H,10-11,15H2,1-5H3
• InChIKey: LZZBTFKPBARBKK-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 356.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.28
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The IUPAC name of [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 159505865) is [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

What is the SMILES notation for [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The canonical SMILES for [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ccnn4C)CC3(C)C)oc12.Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)C)c4o3)C(C)(C)C2)on1.Cc1cnoc1C(=O)N1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(C)C)c3o2)C(C)(C)C1.

What is the InChIKey of [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The InChIKey is LZZBTFKPBARBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N3O4.C28H30FN5O3.2C28H29FN4O4/c1-16(2)20-11-21(17-5-7-19(30)8-6-17)34-22-12-23(40-24(20)22)26(38)36-10-9-35(15-27(36,3)4)25(37)18-13-28(39,14-18)29(31,32)33;1-17(2)20-14-21(18-6-8-19(29)9-7-18)31-22-15-24(37-25(20)22)27(36)34-13-12-33(16-28(34,3)4)26(35)23-10-11-30-32(23)5;1-16(2)20-12-21(18-6-8-19(29)9-7-18)31-22-13-23(36-25(20)22)26(34)33-11-10-32(15-28(33,4)5)27(35)24-17(3)14-30-37-24;1-16(2)20-13-21(18-6-8-19(29)9-7-18)30-22-14-23(36-25(20)22)27(35)33-11-10-32(15-28(33,4)5)26(34)24-12-17(3)31-37-24/h5-8,11-12,16,18,39H,9-10,13-15H2,1-4H3;6-11,14-15,17H,12-13,16H2,1-5H3;2*6-9,12-14,16H,10-11,15H2,1-5H3.

What are the key properties of [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?

[2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 2074.28 g/mol, XLogP of 21.25, 16 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-dimethyl-4-(4-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 159505865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).