4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile

C72H84BClN8O10 — CID 158088396

About 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile

4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile (PubChem CID 158088396) has the molecular formula C72H84BClN8O10 and a molecular weight of 1267.77 g/mol. Its IUPAC name is 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile.

Molecular Properties

• Compound Name: 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile
• PubChem CID: 158088396
• Molecular Formula: C72H84BClN8O10
• Molecular Weight: 1267.77 g/mol
• Exact Mass: 1266.61
• IUPAC Name: 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile
• SMILES: CC1(C)CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC(C)(C)N1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1
• InChI: InChI=1S/C33H36N4O4.C22H33BN2O3.C17H15ClN2O3/c1-32(2)17-23(18-33(3,4)36-32)40-27-11-9-20(14-22(27)19-34)24-12-13-35-26-16-29(41-30(24)26)25-10-8-21(15-28(25)39-7)31(38)37(5)6;1-19(2)12-17(13-20(3,4)25-19)26-18-10-9-16(11-15(18)14-24)23-27-21(5,6)22(7,8)28-23;1-20(2)17(21)10-4-5-11(14(8-10)22-3)15-9-13-16(23-15)12(18)6-7-19-13/h8-16,23,36H,17-18H2,1-7H3;9-11,17,25H,12-13H2,1-8H3;4-9H,1-3H3
• InChIKey: FNUFUSUISSJECJ-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 219.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1267.77
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile?

The IUPAC name of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile (CID 158088396) is 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile.

What is the SMILES notation for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile?

The canonical SMILES for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile is CC1(C)CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC(C)(C)N1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(OC4CC(C)(C)NC(C)(C)C4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1.

What is the InChIKey of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile?

The InChIKey is FNUFUSUISSJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4.C22H33BN2O3.C17H15ClN2O3/c1-32(2)17-23(18-33(3,4)36-32)40-27-11-9-20(14-22(27)19-34)24-12-13-35-26-16-29(41-30(24)26)25-10-8-21(15-28(25)39-7)31(38)37(5)6;1-19(2)12-17(13-20(3,4)25-19)26-18-10-9-16(11-15(18)14-24)23-27-21(5,6)22(7,8)28-23;1-20(2)17(21)10-4-5-11(14(8-10)22-3)15-9-13-16(23-15)12(18)6-7-19-13/h8-16,23,36H,17-18H2,1-7H3;9-11,17,25H,12-13H2,1-8H3;4-9H,1-3H3.

What are the key properties of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile?

4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile has a molecular weight of 1267.77 g/mol, XLogP of 13.84, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 158088396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).