6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid

C126H142Cl3FN16O16 — CID 161460343

About 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid

6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid (PubChem CID 161460343) has the molecular formula C126H142Cl3FN16O16 and a molecular weight of 2261.97 g/mol. Its IUPAC name is 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid
• PubChem CID: 161460343
• Molecular Formula: C126H142Cl3FN16O16
• Molecular Weight: 2261.97 g/mol
• Exact Mass: 2258.98
• IUPAC Name: 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4o3)C(C)(C)C2)ncc1C(=O)O.Cc1cc(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)ncc1C(=O)O.Cc1cc(N2CCN(C(=O)c3cc4nc(C5CCC(C)(C)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)ncc1C(=O)O.Cc1ccc(C(=O)O)nc1N1CCN(C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1
• InChI: InChI=1S/C33H44N4O4.C31H32ClFN4O4.2C31H33ClN4O4/c1-20-15-27(34-18-22(20)30(39)40)36-13-14-37(33(7,8)19-36)29(38)26-17-25-28(41-26)23(31(2,3)4)16-24(35-25)21-9-11-32(5,6)12-10-21;1-17-11-26(34-15-19(17)29(39)40)36-9-10-37(31(5,6)16-36)28(38)25-14-24-27(41-25)20(30(2,3)4)13-23(35-24)18-7-8-21(32)22(33)12-18;1-18-7-12-22(29(38)39)34-27(18)35-13-14-36(31(5,6)17-35)28(37)25-16-24-26(40-25)21(30(2,3)4)15-23(33-24)19-8-10-20(32)11-9-19;1-18-13-26(33-16-21(18)29(38)39)35-11-12-36(31(5,6)17-35)28(37)25-15-24-27(40-25)22(30(2,3)4)14-23(34-24)19-7-9-20(32)10-8-19/h15-18,21H,9-14,19H2,1-8H3,(H,39,40);7-8,11-15H,9-10,16H2,1-6H3,(H,39,40);7-12,15-16H,13-14,17H2,1-6H3,(H,38,39);7-10,13-16H,11-12,17H2,1-6H3,(H,38,39)
• InChIKey: WBSDOQNPWROSBC-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 399.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.97
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid?

The IUPAC name of 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid (CID 161460343) is 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid.

What is the SMILES notation for 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid?

The canonical SMILES for 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid is Cc1cc(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4o3)C(C)(C)C2)ncc1C(=O)O.Cc1cc(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2)ncc1C(=O)O.Cc1cc(N2CCN(C(=O)c3cc4nc(C5CCC(C)(C)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)ncc1C(=O)O.Cc1ccc(C(=O)O)nc1N1CCN(C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(C)(C)C)c3o2)C(C)(C)C1.

What is the InChIKey of 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid?

The InChIKey is WBSDOQNPWROSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O4.C31H32ClFN4O4.2C31H33ClN4O4/c1-20-15-27(34-18-22(20)30(39)40)36-13-14-37(33(7,8)19-36)29(38)26-17-25-28(41-26)23(31(2,3)4)16-24(35-25)21-9-11-32(5,6)12-10-21;1-17-11-26(34-15-19(17)29(39)40)36-9-10-37(31(5,6)16-36)28(38)25-14-24-27(41-25)20(30(2,3)4)13-23(35-24)18-7-8-21(32)22(33)12-18;1-18-7-12-22(29(38)39)34-27(18)35-13-14-36(31(5,6)17-35)28(37)25-16-24-26(40-25)21(30(2,3)4)15-23(33-24)19-8-10-20(32)11-9-19;1-18-13-26(33-16-21(18)29(38)39)35-11-12-36(31(5,6)17-35)28(37)25-15-24-27(40-25)22(30(2,3)4)14-23(34-24)19-7-9-20(32)10-8-19/h15-18,21H,9-14,19H2,1-8H3,(H,39,40);7-8,11-15H,9-10,16H2,1-6H3,(H,39,40);7-12,15-16H,13-14,17H2,1-6H3,(H,38,39);7-10,13-16H,11-12,17H2,1-6H3,(H,38,39).

What are the key properties of 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid?

6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 2261.97 g/mol, XLogP of 26.86, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid;6-[4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid;6-[4-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 161460343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).