[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone

C114H125Cl4N21O13 — CID 159649444

About [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone

[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 159649444) has the molecular formula C114H125Cl4N21O13 and a molecular weight of 2139.20 g/mol. Its IUPAC name is [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
• PubChem CID: 159649444
• Molecular Formula: C114H125Cl4N21O13
• Molecular Weight: 2139.20 g/mol
• Exact Mass: 2135.85
• IUPAC Name: [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cc1nc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cc1ncc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)[nH]1.Cc1nnc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)o1
• InChI: InChI=1S/2C29H32ClN5O3.C28H31ClN6O3.C28H30ClN5O4/c1-17-31-15-23(32-17)26(36)34-11-12-35(29(5,6)16-34)27(37)24-14-22-25(38-24)20(28(2,3)4)13-21(33-22)18-7-9-19(30)10-8-18;1-17-13-23(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;1-16-30-24(33-32-16)26(37)34-11-12-35(28(5,6)15-34)25(36)22-14-21-23(38-22)19(27(2,3)4)13-20(31-21)17-7-9-18(29)10-8-17;1-16-31-32-24(37-16)26(36)33-11-12-34(28(5,6)15-33)25(35)22-14-21-23(38-22)19(27(2,3)4)13-20(30-21)17-7-9-18(29)10-8-17/h7-10,13-15H,11-12,16H2,1-6H3,(H,31,32);7-10,13-15H,11-12,16H2,1-6H3,(H,32,33);7-10,13-14H,11-12,15H2,1-6H3,(H,30,32,33);7-10,13-14H,11-12,15H2,1-6H3
• InChIKey: MRJLUXFKZQJCNO-UHFFFAOYSA-N
• XLogP: 22.47
• TPSA: 404.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.20
LogP ≤ 5	22.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

The IUPAC name of [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone (CID 159649444) is [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone.

What is the SMILES notation for [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

The canonical SMILES for [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cc1nc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)n[nH]1.Cc1ncc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)[nH]1.Cc1nnc(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)o1.

What is the InChIKey of [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

The InChIKey is MRJLUXFKZQJCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H32ClN5O3.C28H31ClN6O3.C28H30ClN5O4/c1-17-31-15-23(32-17)26(36)34-11-12-35(29(5,6)16-34)27(37)24-14-22-25(38-24)20(28(2,3)4)13-21(33-22)18-7-9-19(30)10-8-18;1-17-13-23(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;1-16-30-24(33-32-16)26(37)34-11-12-35(28(5,6)15-34)25(36)22-14-21-23(38-22)19(27(2,3)4)13-20(31-21)17-7-9-18(29)10-8-17;1-16-31-32-24(37-16)26(36)33-11-12-34(28(5,6)15-33)25(35)22-14-21-23(38-22)19(27(2,3)4)13-20(30-21)17-7-9-18(29)10-8-17/h7-10,13-15H,11-12,16H2,1-6H3,(H,31,32);7-10,13-15H,11-12,16H2,1-6H3,(H,32,33);7-10,13-14H,11-12,15H2,1-6H3,(H,30,32,33);7-10,13-14H,11-12,15H2,1-6H3.

What are the key properties of [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 2139.20 g/mol, XLogP of 22.47, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(2-methyl-1H-imidazole-5-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[7-tert-butyl-5-(4-chlorophenyl)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-chlorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159649444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).