6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C87H86BCl2N11O19 — CID 157111817

About 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 157111817) has the molecular formula C87H86BCl2N11O19 and a molecular weight of 1671.42 g/mol. Its IUPAC name is 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• PubChem CID: 157111817
• Molecular Formula: C87H86BCl2N11O19
• Molecular Weight: 1671.42 g/mol
• Exact Mass: 1669.56
• IUPAC Name: 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• SMILES: C1NCC2CC1O2.CC1(C)OB(c2ccc(OC3CCOCC3)c(C#N)c2)OC1(C)C.COc1cc(C(=O)N2CC3CC(C2)O3)cnc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N2CC3CC(C2)O3)cnc1-c1cc2nccc(Cl)c2o1.COc1cc(C(=O)O)cnc1-c1cc2nccc(Cl)c2o1
• InChI: InChI=1S/C31H28N4O6.C19H16ClN3O4.C18H24BNO4.C14H9ClN2O4.C5H9NO/c1-37-27-11-20(31(36)35-16-22-12-23(17-35)39-22)15-34-29(27)28-13-25-30(41-28)24(4-7-33-25)18-2-3-26(19(10-18)14-32)40-21-5-8-38-9-6-21;1-25-15-4-10(19(24)23-8-11-5-12(9-23)26-11)7-22-17(15)16-6-14-18(27-16)13(20)2-3-21-14;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;1-20-10-4-7(14(18)19)6-17-12(10)11-5-9-13(21-11)8(15)2-3-16-9;1-4-2-6-3-5(1)7-4/h2-4,7,10-11,13,15,21-23H,5-6,8-9,12,16-17H2,1H3;2-4,6-7,11-12H,5,8-9H2,1H3;5-6,11,15H,7-10H2,1-4H3;2-6H,1H3,(H,18,19);4-6H,1-3H2
• InChIKey: AGYCWQUNPZKOKA-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 365.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.42
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The IUPAC name of 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 157111817) is 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the SMILES notation for 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The canonical SMILES for 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is C1NCC2CC1O2.CC1(C)OB(c2ccc(OC3CCOCC3)c(C#N)c2)OC1(C)C.COc1cc(C(=O)N2CC3CC(C2)O3)cnc1-c1cc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N2CC3CC(C2)O3)cnc1-c1cc2nccc(Cl)c2o1.COc1cc(C(=O)O)cnc1-c1cc2nccc(Cl)c2o1.

What is the InChIKey of 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The InChIKey is AGYCWQUNPZKOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O6.C19H16ClN3O4.C18H24BNO4.C14H9ClN2O4.C5H9NO/c1-37-27-11-20(31(36)35-16-22-12-23(17-35)39-22)15-34-29(27)28-13-25-30(41-28)24(4-7-33-25)18-2-3-26(19(10-18)14-32)40-21-5-8-38-9-6-21;1-25-15-4-10(19(24)23-8-11-5-12(9-23)26-11)7-22-17(15)16-6-14-18(27-16)13(20)2-3-21-14;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;1-20-10-4-7(14(18)19)6-17-12(10)11-5-9-13(21-11)8(15)2-3-16-9;1-4-2-6-3-5(1)7-4/h2-4,7,10-11,13,15,21-23H,5-6,8-9,12,16-17H2,1H3;2-4,6-7,11-12H,5,8-9H2,1H3;5-6,11,15H,7-10H2,1-4H3;2-6H,1H3,(H,18,19);4-6H,1-3H2.

What are the key properties of 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1671.42 g/mol, XLogP of 13.19, 15 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxypyridine-3-carboxylic acid;[6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone;5-[2-[3-methoxy-5-(6-oxa-3-azabicyclo[3.1.1]heptane-3-carbonyl)-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile;6-oxa-3-azabicyclo[3.1.1]heptane;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 157111817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).