[4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C118H155ClF7N15O17S — CID 161042791

About [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 161042791) has the molecular formula C118H155ClF7N15O17S and a molecular weight of 2256.13 g/mol. Its IUPAC name is [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 161042791
• Molecular Formula: C118H155ClF7N15O17S
• Molecular Weight: 2256.13 g/mol
• Exact Mass: 2254.10
• IUPAC Name: [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCC(CC(=O)NS(=O)(=O)C(F)(F)F)CC3(C)C)oc12.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CC6(CCC6)C5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC6(CC5)CC6)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC[C@H]5C(F)(F)F)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1
• InChI: InChI=1S/C31H44N4O4.C30H42N4O4.C29H39F3N4O4.C28H30ClF4N3O5S/c1-28(2,3)21-15-24(33-11-9-31(7-8-31)10-12-33)32-22-16-23(39-25(21)22)27(37)35-14-13-34(19-29(35,4)5)26(36)20-17-30(6,38)18-20;1-27(2,3)20-12-23(33-17-30(18-33)8-7-9-30)31-21-13-22(38-24(20)21)26(36)34-11-10-32(16-28(34,4)5)25(35)19-14-29(6,37)15-19;1-26(2,3)18-12-22(35-9-7-8-21(35)29(30,31)32)33-19-13-20(40-23(18)19)25(38)36-11-10-34(16-27(36,4)5)24(37)17-14-28(6,39)15-17;1-26(2,3)17-12-20(16-6-7-18(29)19(30)11-16)34-21-13-22(41-24(17)21)25(38)36-9-8-15(14-27(36,4)5)10-23(37)35-42(39,40)28(31,32)33/h15-16,20,38H,7-14,17-19H2,1-6H3;12-13,19,37H,7-11,14-18H2,1-6H3;12-13,17,21,39H,7-11,14-16H2,1-6H3;6-7,11-13,15H,8-10,14H2,1-5H3,(H,35,37)/t;;17?,21-,28?;/m..0./s1
• InChIKey: UBCGICJYDJNIJO-QUXNAEGXSA-N
• XLogP: 20.52
• TPSA: 379.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2256.13
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 161042791) is [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC(C)(C)c1cc(-c2ccc(Cl)c(F)c2)nc2cc(C(=O)N3CCC(CC(=O)NS(=O)(=O)C(F)(F)F)CC3(C)C)oc12.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CC6(CCC6)C5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC6(CC5)CC6)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC[C@H]5C(F)(F)F)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.

What is the InChIKey of [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is UBCGICJYDJNIJO-QUXNAEGXSA-N. The full InChI is InChI=1S/C31H44N4O4.C30H42N4O4.C29H39F3N4O4.C28H30ClF4N3O5S/c1-28(2,3)21-15-24(33-11-9-31(7-8-31)10-12-33)32-22-16-23(39-25(21)22)27(37)35-14-13-34(19-29(35,4)5)26(36)20-17-30(6,38)18-20;1-27(2,3)20-12-23(33-17-30(18-33)8-7-9-30)31-21-13-22(38-24(20)21)26(36)34-11-10-32(16-28(34,4)5)25(35)19-14-29(6,37)15-19;1-26(2,3)18-12-22(35-9-7-8-21(35)29(30,31)32)33-19-13-20(40-23(18)19)25(38)36-11-10-34(16-27(36,4)5)24(37)17-14-28(6,39)15-17;1-26(2,3)17-12-20(16-6-7-18(29)19(30)11-16)34-21-13-22(41-24(17)21)25(38)36-9-8-15(14-27(36,4)5)10-23(37)35-42(39,40)28(31,32)33/h15-16,20,38H,7-14,17-19H2,1-6H3;12-13,19,37H,7-11,14-18H2,1-6H3;12-13,17,21,39H,7-11,14-16H2,1-6H3;6-7,11-13,15H,8-10,14H2,1-5H3,(H,35,37)/t;;17?,21-,28?;/m..0./s1.

What are the key properties of [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

[4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 2256.13 g/mol, XLogP of 20.52, 14 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(2-azaspiro[3.3]heptan-2-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[5-(6-azaspiro[2.5]octan-6-yl)-7-tert-butylfuro[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;2-[1-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-N-(trifluoromethylsulfonyl)acetamide;[4-[7-tert-butyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 161042791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).