[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone

C122H173F4N15O16S — CID 160977454

About [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone

[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone (PubChem CID 160977454) has the molecular formula C122H173F4N15O16S and a molecular weight of 2213.87 g/mol. Its IUPAC name is [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone.

Molecular Properties

• Compound Name: [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone
• PubChem CID: 160977454
• Molecular Formula: C122H173F4N15O16S
• Molecular Weight: 2213.87 g/mol
• Exact Mass: 2212.28
• IUPAC Name: [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone
• SMILES: CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)C4CCC(O)CC4)CC3(C)C)oc12.CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)C5CC(C)(O)C5)CC4(C)C)cc3n2)CC1.CC1=NCC(C(=O)N2CCN(C(=O)c3cc4nc(C5CCC(C)(C)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)=N1.CNS(=O)(=O)CCC(=O)N1CCN(C(=O)c2cc3nc(C4CCC(F)(F)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1
• InChI: InChI=1S/C32H47N3O4.C31H43F2N3O4.C31H43N5O3.C28H40F2N4O5S/c1-29(2,3)22-15-23(20-9-11-30(4,5)12-10-20)33-24-16-25(39-26(22)24)28(37)35-14-13-34(19-31(35,6)7)27(36)21-17-32(8,38)18-21;1-29(2,3)22-16-23(19-10-12-31(32,33)13-11-19)34-24-17-25(40-26(22)24)28(39)36-15-14-35(18-30(36,4)5)27(38)20-6-8-21(37)9-7-20;1-19-32-17-24(33-19)27(37)35-13-14-36(31(7,8)18-35)28(38)25-16-23-26(39-25)21(29(2,3)4)15-22(34-23)20-9-11-30(5,6)12-10-20;1-26(2,3)19-15-20(18-7-10-28(29,30)11-8-18)32-21-16-22(39-24(19)21)25(36)34-13-12-33(17-27(34,4)5)23(35)9-14-40(37,38)31-6/h15-16,20-21,38H,9-14,17-19H2,1-8H3;16-17,19-21,37H,6-15,18H2,1-5H3;15-16,20H,9-14,17-18H2,1-8H3;15-16,18,31H,7-14,17H2,1-6H3
• InChIKey: SZBHATKWVXJHEH-UHFFFAOYSA-N
• XLogP: 22.23
• TPSA: 377.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.87
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone?

The IUPAC name of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone (CID 160977454) is [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone.

What is the SMILES notation for [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone?

The canonical SMILES for [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone is CC(C)(C)c1cc(C2CCC(F)(F)CC2)nc2cc(C(=O)N3CCN(C(=O)C4CCC(O)CC4)CC3(C)C)oc12.CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCN(C(=O)C5CC(C)(O)C5)CC4(C)C)cc3n2)CC1.CC1=NCC(C(=O)N2CCN(C(=O)c3cc4nc(C5CCC(C)(C)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)=N1.CNS(=O)(=O)CCC(=O)N1CCN(C(=O)c2cc3nc(C4CCC(F)(F)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1.

What is the InChIKey of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone?

The InChIKey is SZBHATKWVXJHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O4.C31H43F2N3O4.C31H43N5O3.C28H40F2N4O5S/c1-29(2,3)22-15-23(20-9-11-30(4,5)12-10-20)33-24-16-25(39-26(22)24)28(37)35-14-13-34(19-31(35,6)7)27(36)21-17-32(8,38)18-21;1-29(2,3)22-16-23(19-10-12-31(32,33)13-11-19)34-24-17-25(40-26(22)24)28(39)36-15-14-35(18-30(36,4)5)27(38)20-6-8-21(37)9-7-20;1-19-32-17-24(33-19)27(37)35-13-14-36(31(7,8)18-35)28(38)25-16-23-26(39-25)21(29(2,3)4)15-22(34-23)20-9-11-30(5,6)12-10-20;1-26(2,3)19-15-20(18-7-10-28(29,30)11-8-18)32-21-16-22(39-24(19)21)25(36)34-13-12-33(17-27(34,4)5)23(35)9-14-40(37,38)31-6/h15-16,20-21,38H,9-14,17-19H2,1-8H3;16-17,19-21,37H,6-15,18H2,1-5H3;15-16,20H,9-14,17-18H2,1-8H3;15-16,18,31H,7-14,17H2,1-6H3.

What are the key properties of [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone?

[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone has a molecular weight of 2213.87 g/mol, XLogP of 22.23, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(4-hydroxycyclohexyl)methanone;3-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-3-oxopropane-1-sulfonamide;[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-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-dimethylpiperazin-1-yl]-(2-methyl-4H-imidazol-5-yl)methanone is sourced from PubChem (CID 160977454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).