4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C124H167FN16O15 — CID 157134759

About 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 157134759) has the molecular formula C124H167FN16O15 and a molecular weight of 2140.79 g/mol. Its IUPAC name is 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 157134759
• Molecular Formula: C124H167FN16O15
• Molecular Weight: 2140.79 g/mol
• Exact Mass: 2139.28
• IUPAC Name: 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)C5CCC(C)(C(=O)O)CC5)CC4(C)C)cc3n2)CC1.CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(c5cn[nH]c5)C(=O)C4(C)C)cc3n2)CC1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4o3)CC2(C)C)C1.Cc1cn[nH]c1N1CCN(C(=O)c2cc3nc(C4CCC(C)(C)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O
• InChI: InChI=1S/C35H51N3O5.C30H36FN3O4.C30H41N5O3.C29H39N5O3/c1-32(2,3)24-19-25(22-9-13-33(4,5)14-10-22)36-26-20-27(43-28(24)26)30(40)38-18-17-37(21-34(38,6)7)29(39)23-11-15-35(8,16-12-23)31(41)42;1-28(2,3)21-13-22(18-7-9-20(31)10-8-18)32-23-14-24(38-25(21)23)27(36)33-11-12-34(29(4,5)17-33)26(35)19-15-30(6,37)16-19;1-18-17-31-33-25(18)34-13-14-35(30(7,8)27(34)37)26(36)23-16-22-24(38-23)20(28(2,3)4)15-21(32-22)19-9-11-29(5,6)12-10-19;1-27(2,3)20-14-21(18-8-10-28(4,5)11-9-18)32-22-15-23(37-24(20)22)25(35)34-13-12-33(19-16-30-31-17-19)26(36)29(34,6)7/h19-20,22-23H,9-18,21H2,1-8H3,(H,41,42);7-10,13-14,19,37H,11-12,15-17H2,1-6H3;15-17,19H,9-14H2,1-8H3,(H,31,33);14-18H,8-13H2,1-7H3,(H,30,31)
• InChIKey: AJMNJGMBXDZFGB-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 381.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2140.79
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 157134759) is 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)C5CCC(C)(C(=O)O)CC5)CC4(C)C)cc3n2)CC1.CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(c5cn[nH]c5)C(=O)C4(C)C)cc3n2)CC1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4o3)CC2(C)C)C1.Cc1cn[nH]c1N1CCN(C(=O)c2cc3nc(C4CCC(C)(C)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1=O.

What is the InChIKey of 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is AJMNJGMBXDZFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O5.C30H36FN3O4.C30H41N5O3.C29H39N5O3/c1-32(2,3)24-19-25(22-9-13-33(4,5)14-10-22)36-26-20-27(43-28(24)26)30(40)38-18-17-37(21-34(38,6)7)29(39)23-11-15-35(8,16-12-23)31(41)42;1-28(2,3)21-13-22(18-7-9-20(31)10-8-18)32-23-14-24(38-25(21)23)27(36)33-11-12-34(29(4,5)17-33)26(35)19-15-30(6,37)16-19;1-18-17-31-33-25(18)34-13-14-35(30(7,8)27(34)37)26(36)23-16-22-24(38-23)20(28(2,3)4)15-21(32-22)19-9-11-29(5,6)12-10-19;1-27(2,3)20-14-21(18-8-10-28(4,5)11-9-18)32-22-15-23(37-24(20)22)25(35)34-13-12-33(19-16-30-31-17-19)26(36)29(34,6)7/h19-20,22-23H,9-18,21H2,1-8H3,(H,41,42);7-10,13-14,19,37H,11-12,15-17H2,1-6H3;15-17,19H,9-14H2,1-8H3,(H,31,33);14-18H,8-13H2,1-7H3,(H,30,31).

What are the key properties of 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 2140.79 g/mol, XLogP of 24.22, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(4-methyl-1H-pyrazol-5-yl)piperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one;[4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 157134759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).