[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

C108H120F7N13O15 — CID 159495437

About [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 159495437) has the molecular formula C108H120F7N13O15 and a molecular weight of 1973.21 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

• Compound Name: [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
• PubChem CID: 159495437
• Molecular Formula: C108H120F7N13O15
• Molecular Weight: 1973.21 g/mol
• Exact Mass: 1971.89
• IUPAC Name: [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
• SMILES: CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC(C)(O)C4)CC3(C)C)oc12.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)C4CC(O)C4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2oc(C(=O)N3CCNC(=O)C3(C)C)nc12
• InChI: InChI=1S/C29H31F4N3O4.C29H34FN3O4.C28H32FN3O4.C22H23FN4O3/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)21-12-22(18-6-8-20(30)9-7-18)31-23-13-24(37-25(21)23)27(35)33-11-10-32(16-28(33,3)4)26(34)19-14-29(5,36)15-19;1-16(2)21-13-22(17-5-7-19(29)8-6-17)30-23-14-24(36-25(21)23)27(35)32-10-9-31(15-28(32,3)4)26(34)18-11-20(33)12-18;1-12(2)15-11-16(13-5-7-14(23)8-6-13)25-18-17(15)26-19(30-18)20(28)27-10-9-24-21(29)22(27,3)4/h5-8,11-12,16,18,39H,9-10,13-15H2,1-4H3;6-9,12-13,17,19,36H,10-11,14-16H2,1-5H3;5-8,13-14,16,18,20,33H,9-12,15H2,1-4H3;5-8,11-12H,9-10H2,1-4H3,(H,24,29)
• InChIKey: LYSLREYGQMCBKN-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 348.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.21
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

The IUPAC name of [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (CID 159495437) is [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.

What is the SMILES notation for [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

The canonical SMILES for [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)C4CC(C)(O)C4)CC3(C)C)oc12.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)C4CC(O)C4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2oc(C(=O)N3CCNC(=O)C3(C)C)nc12.

What is the InChIKey of [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

The InChIKey is LYSLREYGQMCBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N3O4.C29H34FN3O4.C28H32FN3O4.C22H23FN4O3/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)21-12-22(18-6-8-20(30)9-7-18)31-23-13-24(37-25(21)23)27(35)33-11-10-32(16-28(33,3)4)26(34)19-14-29(5,36)15-19;1-16(2)21-13-22(17-5-7-19(29)8-6-17)30-23-14-24(36-25(21)23)27(35)32-10-9-31(15-28(32,3)4)26(34)18-11-20(33)12-18;1-12(2)15-11-16(13-5-7-14(23)8-6-13)25-18-17(15)26-19(30-18)20(28)27-10-9-24-21(29)22(27,3)4/h5-8,11-12,16,18,39H,9-10,13-15H2,1-4H3;6-9,12-13,17,19,36H,10-11,14-16H2,1-5H3;5-8,13-14,16,18,20,33H,9-12,15H2,1-4H3;5-8,11-12H,9-10H2,1-4H3,(H,24,29).

What are the key properties of [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 1973.21 g/mol, XLogP of 18.60, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)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-yl-[1,3]oxazolo[5,4-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 159495437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).