[2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

C110H116F7N19O14S — CID 158995770

About [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone

[2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 158995770) has the molecular formula C110H116F7N19O14S and a molecular weight of 2093.31 g/mol. Its IUPAC name is [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

• Compound Name: [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
• PubChem CID: 158995770
• Molecular Formula: C110H116F7N19O14S
• Molecular Weight: 2093.31 g/mol
• Exact Mass: 2091.86
• IUPAC Name: [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
• SMILES: C=C(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)c4ccn(C)n4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ncn[nH]4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)c4cn(C)cn4)CC3(C)C)oc12
• InChI: InChI=1S/C29H29F4N3O4.C28H30FN5O3.C27H30FN5O4S.C26H27FN6O3/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)20-14-22(18-6-8-19(29)9-7-18)30-23-15-24(37-25(20)23)27(36)34-13-12-33(16-28(34,3)4)26(35)21-10-11-32(5)31-21;1-17(2)20-12-21(18-6-8-19(28)9-7-18)30-22-13-23(37-25(20)22)26(34)33-11-10-32(15-27(33,3)4)38(35,36)24-14-31(5)16-29-24;1-15(2)18-11-19(16-5-7-17(27)8-6-16)30-20-12-21(36-22(18)20)24(34)33-10-9-32(13-26(33,3)4)25(35)23-28-14-29-31-23/h5-8,11-12,18,39H,1,9-10,13-15H2,2-4H3;6-11,14-15,17H,12-13,16H2,1-5H3;6-9,12-14,16-17H,10-11,15H2,1-5H3;5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,29,31)
• InChIKey: JQSJUXUZQPERAB-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 381.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.31
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

The IUPAC name of [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone (CID 158995770) is [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone.

What is the SMILES notation for [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

The canonical SMILES for [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is C=C(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)c4ccn(C)n4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ncn[nH]4)CC3(C)C)oc12.CC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)c4cn(C)cn4)CC3(C)C)oc12.

What is the InChIKey of [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

The InChIKey is JQSJUXUZQPERAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N3O4.C28H30FN5O3.C27H30FN5O4S.C26H27FN6O3/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)20-14-22(18-6-8-19(29)9-7-18)30-23-15-24(37-25(20)23)27(36)34-13-12-33(16-28(34,3)4)26(35)21-10-11-32(5)31-21;1-17(2)20-12-21(18-6-8-19(28)9-7-18)30-22-13-23(37-25(20)22)26(34)33-11-10-32(15-27(33,3)4)38(35,36)24-14-31(5)16-29-24;1-15(2)18-11-19(16-5-7-17(27)8-6-16)30-20-12-21(36-22(18)20)24(34)33-10-9-32(13-26(33,3)4)25(35)23-28-14-29-31-23/h5-8,11-12,18,39H,1,9-10,13-15H2,2-4H3;6-11,14-15,17H,12-13,16H2,1-5H3;6-9,12-14,16-17H,10-11,15H2,1-5H3;5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,28,29,31).

What are the key properties of [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone?

[2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 2093.31 g/mol, XLogP of 18.97, 17 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-dimethyl-4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone;[2,2-dimethyl-4-(1H-1,2,4-triazole-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]-(1-methylpyrazol-3-yl)methanone;[4-[5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 158995770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).