4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine

C88H83BClF2N11O13 — CID 158156913

About 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine

4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 158156913) has the molecular formula C88H83BClF2N11O13 and a molecular weight of 1586.96 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-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

• Compound Name: 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine
• PubChem CID: 158156913
• Molecular Formula: C88H83BClF2N11O13
• Molecular Weight: 1586.96 g/mol
• Exact Mass: 1585.59
• IUPAC Name: 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine
• SMILES: CC1(C)OB(c2ccc(F)c(C#N)c2)OC1(C)C.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(F)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(NC4C5COCC54)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1.NC1C2COCC12
• InChI: InChI=1S/C29H26N4O4.C24H18FN3O3.C17H15ClN2O3.C13H15BFNO2.C5H9NO/c1-33(2)29(34)17-4-6-20(25(11-17)35-3)26-12-24-28(37-26)19(8-9-31-24)16-5-7-23(18(10-16)13-30)32-27-21-14-36-15-22(21)27;1-28(2)24(29)15-4-6-18(21(11-15)30-3)22-12-20-23(31-22)17(8-9-27-20)14-5-7-19(25)16(10-14)13-26;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;1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16;6-5-3-1-7-2-4(3)5/h4-12,21-22,27,32H,14-15H2,1-3H3;4-12H,1-3H3;4-9H,1-3H3;5-7H,1-4H3;3-5H,1-2,6H2
• InChIKey: FVUMBSTZNDGDBJ-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 313.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1586.96
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine?

The IUPAC name of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine (CID 158156913) is 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine.

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-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine?

The canonical SMILES for 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine is CC1(C)OB(c2ccc(F)c(C#N)c2)OC1(C)C.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(F)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(-c3ccc(NC4C5COCC54)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ccc1-c1cc2nccc(Cl)c2o1.NC1C2COCC12.

What is the InChIKey of 4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine?

The InChIKey is FVUMBSTZNDGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4.C24H18FN3O3.C17H15ClN2O3.C13H15BFNO2.C5H9NO/c1-33(2)29(34)17-4-6-20(25(11-17)35-3)26-12-24-28(37-26)19(8-9-31-24)16-5-7-23(18(10-16)13-30)32-27-21-14-36-15-22(21)27;1-28(2)24(29)15-4-6-18(21(11-15)30-3)22-12-20-23(31-22)17(8-9-27-20)14-5-7-19(25)16(10-14)13-26;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;1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16;6-5-3-1-7-2-4(3)5/h4-12,21-22,27,32H,14-15H2,1-3H3;4-12H,1-3H3;4-9H,1-3H3;5-7H,1-4H3;3-5H,1-2,6H2.

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-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine?

4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxy-N,N-dimethylbenzamide;4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 1586.96 g/mol, XLogP of 15.13, 14 rotatable bonds, 2 hydrogen bond donors, and 21 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-fluorophenyl)furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;4-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 158156913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).