4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C68H76BClN8O10 — CID 157476843

About 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 157476843) has the molecular formula C68H76BClN8O10 and a molecular weight of 1211.67 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-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• PubChem CID: 157476843
• Molecular Formula: C68H76BClN8O10
• Molecular Weight: 1211.67 g/mol
• Exact Mass: 1210.55
• IUPAC Name: 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• SMILES: CC1CC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC(C)O1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(NC4CC(C)OC(C)C4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1
• InChI: InChI=1S/C31H32N4O4.C20H29BN2O3.C17H15ClN2O3/c1-18-12-23(13-19(2)38-18)34-26-9-7-20(14-22(26)17-32)24-10-11-33-27-16-29(39-30(24)27)25-8-6-21(15-28(25)37-5)31(36)35(3)4;1-13-9-17(10-14(2)24-13)23-18-8-7-16(11-15(18)12-22)21-25-19(3,4)20(5,6)26-21;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/h6-11,14-16,18-19,23,34H,12-13H2,1-5H3;7-8,11,13-14,17,23H,9-10H2,1-6H3;4-9H,1-3H3
• InChIKey: BVRQNGPHNAPKHL-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 219.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1211.67
LogP ≤ 5	13.20
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-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The IUPAC name of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 157476843) is 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

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-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The canonical SMILES for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is CC1CC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC(C)O1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(NC4CC(C)OC(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-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The InChIKey is BVRQNGPHNAPKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4.C20H29BN2O3.C17H15ClN2O3/c1-18-12-23(13-19(2)38-18)34-26-9-7-20(14-22(26)17-32)24-10-11-33-27-16-29(39-30(24)27)25-8-6-21(15-28(25)37-5)31(36)35(3)4;1-13-9-17(10-14(2)24-13)23-18-8-7-16(11-15(18)12-22)21-25-19(3,4)20(5,6)26-21;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/h6-11,14-16,18-19,23,34H,12-13H2,1-5H3;7-8,11,13-14,17,23H,9-10H2,1-6H3;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-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1211.67 g/mol, XLogP of 13.20, 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-[(2,6-dimethyloxan-4-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-[(2,6-dimethyloxan-4-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 157476843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).