5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C89H85BClN9O15 — CID 157236792

About 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 157236792) has the molecular formula C89H85BClN9O15 and a molecular weight of 1566.97 g/mol. Its IUPAC name is 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• PubChem CID: 157236792
• Molecular Formula: C89H85BClN9O15
• Molecular Weight: 1566.97 g/mol
• Exact Mass: 1565.59
• IUPAC Name: 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• SMILES: CC1(C)OB(c2ccc(NC3CCOCC3)c(C#N)c2)OC1(C)C.COc1cc(C(=O)O)ccc1-c1cc2nccc(-c3ccc(NC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(C)=O)ccc1-c1cc2nccc(-c3ccc(NC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(C)=O)ccc1-c1cc2nccc(Cl)c2o1
• InChI: InChI=1S/C28H25N3O4.C27H23N3O5.C18H25BN2O3.C16H12ClNO3/c1-17(32)18-3-5-23(26(14-18)33-2)27-15-25-28(35-27)22(7-10-30-25)19-4-6-24(20(13-19)16-29)31-21-8-11-34-12-9-21;1-33-24-13-17(27(31)32)2-4-21(24)25-14-23-26(35-25)20(6-9-29-23)16-3-5-22(18(12-16)15-28)30-19-7-10-34-11-8-19;1-17(2)18(3,4)24-19(23-17)14-5-6-16(13(11-14)12-20)21-15-7-9-22-10-8-15;1-9(19)10-3-4-11(14(7-10)20-2)15-8-13-16(21-15)12(17)5-6-18-13/h3-7,10,13-15,21,31H,8-9,11-12H2,1-2H3;2-6,9,12-14,19,30H,7-8,10-11H2,1H3,(H,31,32);5-6,11,15,21H,7-10H2,1-4H3;3-8H,1-2H3
• InChIKey: AUSOSSRTDWNSFV-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 330.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1566.97
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The IUPAC name of 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 157236792) is 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the SMILES notation for 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The canonical SMILES for 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is CC1(C)OB(c2ccc(NC3CCOCC3)c(C#N)c2)OC1(C)C.COc1cc(C(=O)O)ccc1-c1cc2nccc(-c3ccc(NC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(C)=O)ccc1-c1cc2nccc(-c3ccc(NC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(C)=O)ccc1-c1cc2nccc(Cl)c2o1.

What is the InChIKey of 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The InChIKey is AUSOSSRTDWNSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4.C27H23N3O5.C18H25BN2O3.C16H12ClNO3/c1-17(32)18-3-5-23(26(14-18)33-2)27-15-25-28(35-27)22(7-10-30-25)19-4-6-24(20(13-19)16-29)31-21-8-11-34-12-9-21;1-33-24-13-17(27(31)32)2-4-21(24)25-14-23-26(35-25)20(6-9-29-23)16-3-5-22(18(12-16)15-28)30-19-7-10-34-11-8-19;1-17(2)18(3,4)24-19(23-17)14-5-6-16(13(11-14)12-20)21-15-7-9-22-10-8-15;1-9(19)10-3-4-11(14(7-10)20-2)15-8-13-16(21-15)12(17)5-6-18-13/h3-7,10,13-15,21,31H,8-9,11-12H2,1-2H3;2-6,9,12-14,19,30H,7-8,10-11H2,1H3,(H,31,32);5-6,11,15,21H,7-10H2,1-4H3;3-8H,1-2H3.

What are the key properties of 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1566.97 g/mol, XLogP of 17.97, 18 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-acetyl-2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-ylamino)benzonitrile;1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)-3-methoxyphenyl]ethanone;4-[7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzoic acid;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 157236792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).