4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

C110H151Cl2F4N13O16S — CID 160518919

About 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 160518919) has the molecular formula C110H151Cl2F4N13O16S and a molecular weight of 2090.46 g/mol. Its IUPAC name is 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

• Compound Name: 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
• PubChem CID: 160518919
• Molecular Formula: C110H151Cl2F4N13O16S
• Molecular Weight: 2090.46 g/mol
• Exact Mass: 2088.04
• IUPAC Name: 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
• SMILES: CC(C)(C)c1cc(C2CCC(Cl)(Cl)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC1(C(=O)O)CCC(C(=O)N2CCN(C(=O)c3cc4nc(C5CCC(F)(F)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)CC1.CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCNC(=O)C4(C)C)cc3n2)CC1.CNS(=O)(=O)CC(=O)N1CCN(C(=O)c2cc3nc(C4CCC(F)(F)CC4)cc(C(C)(C)C)c3o2)C(C)(C)C1
• InChI: InChI=1S/C33H45F2N3O5.C27H38F2N4O5S.C26H37N3O3.C24H31Cl2N3O3/c1-30(2,3)22-17-23(20-9-13-33(34,35)14-10-20)36-24-18-25(43-26(22)24)28(40)38-16-15-37(19-31(38,4)5)27(39)21-7-11-32(6,12-8-21)29(41)42;1-25(2,3)18-13-19(17-7-9-27(28,29)10-8-17)31-20-14-21(38-23(18)20)24(35)33-12-11-32(16-26(33,4)5)22(34)15-39(36,37)30-6;1-24(2,3)17-14-18(16-8-10-25(4,5)11-9-16)28-19-15-20(32-21(17)19)22(30)29-13-12-27-23(31)26(29,6)7;1-22(2,3)15-12-16(14-6-8-24(25,26)9-7-14)28-17-13-18(32-19(15)17)20(30)29-11-10-27-21(31)23(29,4)5/h17-18,20-21H,7-16,19H2,1-6H3,(H,41,42);13-14,17,30H,7-12,15-16H2,1-6H3;14-16H,8-13H2,1-7H3,(H,27,31);12-14H,6-11H2,1-5H3,(H,27,31)
• InChIKey: QUAALJJOCHUIAE-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 367.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.46
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

The IUPAC name of 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (CID 160518919) is 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.

What is the SMILES notation for 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

The canonical SMILES for 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is CC(C)(C)c1cc(C2CCC(Cl)(Cl)CC2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.CC1(C(=O)O)CCC(C(=O)N2CCN(C(=O)c3cc4nc(C5CCC(F)(F)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)CC1.CC1(C)CCC(c2cc(C(C)(C)C)c3oc(C(=O)N4CCNC(=O)C4(C)C)cc3n2)CC1.CNS(=O)(=O)CC(=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-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

The InChIKey is QUAALJJOCHUIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45F2N3O5.C27H38F2N4O5S.C26H37N3O3.C24H31Cl2N3O3/c1-30(2,3)22-17-23(20-9-13-33(34,35)14-10-20)36-24-18-25(43-26(22)24)28(40)38-16-15-37(19-31(38,4)5)27(39)21-7-11-32(6,12-8-21)29(41)42;1-25(2,3)18-13-19(17-7-9-27(28,29)10-8-17)31-20-14-21(38-23(18)20)24(35)33-12-11-32(16-26(33,4)5)22(34)15-39(36,37)30-6;1-24(2,3)17-14-18(16-8-10-25(4,5)11-9-16)28-19-15-20(32-21(17)19)22(30)29-13-12-27-23(31)26(29,6)7;1-22(2,3)15-12-16(14-6-8-24(25,26)9-7-14)28-17-13-18(32-19(15)17)20(30)29-11-10-27-21(31)23(29,4)5/h17-18,20-21H,7-16,19H2,1-6H3,(H,41,42);13-14,17,30H,7-12,15-16H2,1-6H3;14-16H,8-13H2,1-7H3,(H,27,31);12-14H,6-11H2,1-5H3,(H,27,31).

What are the key properties of 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?

4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 2090.46 g/mol, XLogP of 21.26, 13 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-tert-butyl-5-(4,4-dichlorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1-methylcyclohexane-1-carboxylic acid;2-[4-[7-tert-butyl-5-(4,4-difluorocyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-N-methyl-2-oxoethanesulfonamide;4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 160518919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).