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

C116H132ClN21O12 — CID 161010484

About [7-tert-butyl-5-(4-chlorophenyl)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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 161010484) has the molecular formula C116H132ClN21O12 and a molecular weight of 2047.92 g/mol. Its IUPAC name is [7-tert-butyl-5-(4-chlorophenyl)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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
• PubChem CID: 161010484
• Molecular Formula: C116H132ClN21O12
• Molecular Weight: 2047.92 g/mol
• Exact Mass: 2046.01
• IUPAC Name: [7-tert-butyl-5-(4-chlorophenyl)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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
• SMILES: CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ncn[nH]4)CC3(C)C)oc12.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)c5cc(C)[nH]n5)CC4(C)C)cc3n2)cc1.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)cc3n2)cc1.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)c5cnc(C)[nH]5)CC4(C)C)cc3n2)cc1
• InChI: InChI=1S/2C30H35N5O3.C29H33N5O3.C27H29ClN6O3/c1-18-8-10-20(11-9-18)22-14-21(29(3,4)5)26-23(33-22)15-25(38-26)28(37)35-13-12-34(17-30(35,6)7)27(36)24-16-31-19(2)32-24;1-18-8-10-20(11-9-18)22-15-21(29(3,4)5)26-23(31-22)16-25(38-26)28(37)35-13-12-34(17-30(35,6)7)27(36)24-14-19(2)32-33-24;1-18-7-9-19(10-8-18)22-15-20(28(2,3)4)25-23(31-22)16-24(37-25)27(36)34-14-13-33(17-29(34,5)6)26(35)21-11-12-30-32-21;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/h8-11,14-16H,12-13,17H2,1-7H3,(H,31,32);8-11,14-16H,12-13,17H2,1-7H3,(H,32,33);7-12,15-16H,13-14,17H2,1-6H3,(H,30,32);6-9,12-13,15H,10-11,14H2,1-5H3,(H,29,30,32)
• InChIKey: TXBICARVWIFQTA-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 394.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.92
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 161010484) is [7-tert-butyl-5-(4-chlorophenyl)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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)N3CCN(C(=O)c4ncn[nH]4)CC3(C)C)oc12.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)c5cc(C)[nH]n5)CC4(C)C)cc3n2)cc1.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)cc3n2)cc1.Cc1ccc(-c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)c5cnc(C)[nH]5)CC4(C)C)cc3n2)cc1.

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

The InChIKey is TXBICARVWIFQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H35N5O3.C29H33N5O3.C27H29ClN6O3/c1-18-8-10-20(11-9-18)22-14-21(29(3,4)5)26-23(33-22)15-25(38-26)28(37)35-13-12-34(17-30(35,6)7)27(36)24-16-31-19(2)32-24;1-18-8-10-20(11-9-18)22-15-21(29(3,4)5)26-23(31-22)16-25(38-26)28(37)35-13-12-34(17-30(35,6)7)27(36)24-14-19(2)32-33-24;1-18-7-9-19(10-8-18)22-15-20(28(2,3)4)25-23(31-22)16-24(37-25)27(36)34-14-13-33(17-29(34,5)6)26(35)21-11-12-30-32-21;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/h8-11,14-16H,12-13,17H2,1-7H3,(H,31,32);8-11,14-16H,12-13,17H2,1-7H3,(H,32,33);7-12,15-16H,13-14,17H2,1-6H3,(H,30,32);6-9,12-13,15H,10-11,14H2,1-5H3,(H,29,30,32).

What are the key properties of [7-tert-butyl-5-(4-chlorophenyl)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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 2047.92 g/mol, XLogP of 21.16, 12 rotatable bonds, 4 hydrogen bond donors, and 21 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-(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-1-yl]-(1H-pyrazol-5-yl)methanone;[7-tert-butyl-5-(4-methylphenyl)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-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 161010484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).