(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C84H92B2Cl2IN11O19 — CID 158287856

About (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 158287856) has the molecular formula C84H92B2Cl2IN11O19 and a molecular weight of 1779.15 g/mol. Its IUPAC name is (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

• Compound Name: (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• PubChem CID: 158287856
• Molecular Formula: C84H92B2Cl2IN11O19
• Molecular Weight: 1779.15 g/mol
• Exact Mass: 1777.52
• IUPAC Name: (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• SMILES: CC1(C)OB(c2ccc(OC3CCOCC3)c(C#N)c2)OC1(C)C.COc1cc(C(=O)N(C)CCO)cnc1-c1cc2ncc(C)c(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)CCO)cnc1-c1cc2ncc(C)c(Cl)c2o1.Cc1cc(C(=O)N(C)CCO)cnc1I.Cc1cnc2cc(B(O)O)oc2c1Cl
• InChI: InChI=1S/C30H30N4O6.C18H24BNO4.C18H18ClN3O4.C10H13IN2O2.C8H7BClNO3/c1-18-16-32-23-14-26(28-25(37-3)13-21(17-33-28)30(36)34(2)8-9-35)40-29(23)27(18)19-4-5-24(20(12-19)15-31)39-22-6-10-38-11-7-22;1-17(2)18(3,4)24-19(23-17)14-5-6-16(13(11-14)12-20)22-15-7-9-21-10-8-15;1-10-8-20-12-7-14(26-17(12)15(10)19)16-13(25-3)6-11(9-21-16)18(24)22(2)4-5-23;1-7-5-8(6-12-9(7)11)10(15)13(2)3-4-14;1-4-3-11-5-2-6(9(12)13)14-8(5)7(4)10/h4-5,12-14,16-17,22,35H,6-11H2,1-3H3;5-6,11,15H,7-10H2,1-4H3;6-9,23H,4-5H2,1-3H3;5-6,14H,3-4H2,1-2H3;2-3,12-13H,1H3
• InChIKey: GKZPZHQEJPEVSR-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 400.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1779.15
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The IUPAC name of (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 158287856) is (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the SMILES notation for (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The canonical SMILES for (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is CC1(C)OB(c2ccc(OC3CCOCC3)c(C#N)c2)OC1(C)C.COc1cc(C(=O)N(C)CCO)cnc1-c1cc2ncc(C)c(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)CCO)cnc1-c1cc2ncc(C)c(Cl)c2o1.Cc1cc(C(=O)N(C)CCO)cnc1I.Cc1cnc2cc(B(O)O)oc2c1Cl.

What is the InChIKey of (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The InChIKey is GKZPZHQEJPEVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6.C18H24BNO4.C18H18ClN3O4.C10H13IN2O2.C8H7BClNO3/c1-18-16-32-23-14-26(28-25(37-3)13-21(17-33-28)30(36)34(2)8-9-35)40-29(23)27(18)19-4-5-24(20(12-19)15-31)39-22-6-10-38-11-7-22;1-17(2)18(3,4)24-19(23-17)14-5-6-16(13(11-14)12-20)22-15-7-9-21-10-8-15;1-10-8-20-12-7-14(26-17(12)15(10)19)16-13(25-3)6-11(9-21-16)18(24)22(2)4-5-23;1-7-5-8(6-12-9(7)11)10(15)13(2)3-4-14;1-4-3-11-5-2-6(9(12)13)14-8(5)7(4)10/h4-5,12-14,16-17,22,35H,6-11H2,1-3H3;5-6,11,15H,7-10H2,1-4H3;6-9,23H,4-5H2,1-3H3;5-6,14H,3-4H2,1-2H3;2-3,12-13H,1H3.

What are the key properties of (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1779.15 g/mol, XLogP of 11.24, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)boronic acid;6-(7-chloro-6-methylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;6-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-5-methoxy-N-methylpyridine-3-carboxamide;N-(2-hydroxyethyl)-6-iodo-N,5-dimethylpyridine-3-carboxamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 158287856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).