[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one

C105H117F2N17O12 — CID 158743863

About [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one

[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one (PubChem CID 158743863) has the molecular formula C105H117F2N17O12 and a molecular weight of 1847.19 g/mol. Its IUPAC name is [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

• Compound Name: [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one
• PubChem CID: 158743863
• Molecular Formula: C105H117F2N17O12
• Molecular Weight: 1847.19 g/mol
• Exact Mass: 1845.90
• IUPAC Name: [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ncn[nH]4)CC3(C)C)oc12.Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCNC(=O)C4(C)C)cc3n2)cc1.Cc1ccc(-c2cc(C(C)C)c3oc(C(=O)N4CCNC(=O)C4(C)C)cc3n2)cc1
• InChI: InChI=1S/C29H32FN5O3.C27H29FN6O3.C25H29N3O3.C24H27N3O3/c1-17-13-23(33-32-17)26(36)34-11-12-35(29(5,6)16-34)27(37)24-15-22-25(38-24)20(28(2,3)4)14-21(31-22)18-7-9-19(30)10-8-18;1-26(2,3)18-12-19(16-6-8-17(28)9-7-16)31-20-13-21(37-22(18)20)24(35)34-11-10-33(14-27(34,4)5)25(36)23-29-15-30-32-23;1-15-7-9-16(10-8-15)18-13-17(24(2,3)4)21-19(27-18)14-20(31-21)22(29)28-12-11-26-23(30)25(28,5)6;1-14(2)17-12-18(16-8-6-15(3)7-9-16)26-19-13-20(30-21(17)19)22(28)27-11-10-25-23(29)24(27,4)5/h7-10,13-15H,11-12,16H2,1-6H3,(H,32,33);6-9,12-13,15H,10-11,14H2,1-5H3,(H,29,30,32);7-10,13-14H,11-12H2,1-6H3,(H,26,30);6-9,12-14H,10-11H2,1-5H3,(H,25,29)
• InChIKey: IMQGTYARZGXSMC-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 354.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.19
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one?

The IUPAC name of [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one (CID 158743863) is [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one.

What is the SMILES notation for [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one?

The canonical SMILES for [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one is CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ncn[nH]4)CC3(C)C)oc12.Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCNC(=O)C4(C)C)cc3n2)cc1.Cc1ccc(-c2cc(C(C)C)c3oc(C(=O)N4CCNC(=O)C4(C)C)cc3n2)cc1.

What is the InChIKey of [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one?

The InChIKey is IMQGTYARZGXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O3.C27H29FN6O3.C25H29N3O3.C24H27N3O3/c1-17-13-23(33-32-17)26(36)34-11-12-35(29(5,6)16-34)27(37)24-15-22-25(38-24)20(28(2,3)4)14-21(31-22)18-7-9-19(30)10-8-18;1-26(2,3)18-12-19(16-6-8-17(28)9-7-16)31-20-13-21(37-22(18)20)24(35)34-11-10-33(14-27(34,4)5)25(36)23-29-15-30-32-23;1-15-7-9-16(10-8-15)18-13-17(24(2,3)4)21-19(27-18)14-20(31-21)22(29)28-12-11-26-23(30)25(28,5)6;1-14(2)17-12-18(16-8-6-15(3)7-9-16)26-19-13-20(30-21(17)19)22(28)27-11-10-25-23(29)24(27,4)5/h7-10,13-15H,11-12,16H2,1-6H3,(H,32,33);6-9,12-13,15H,10-11,14H2,1-5H3,(H,29,30,32);7-10,13-14H,11-12H2,1-6H3,(H,26,30);6-9,12-14H,10-11H2,1-5H3,(H,25,29).

What are the key properties of [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one?

[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 1847.19 g/mol, XLogP of 18.49, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone;4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;3,3-dimethyl-4-[5-(4-methylphenyl)-7-propan-2-ylfuro[3,2-b]pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 158743863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).