4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C70H72BClF2N6O12 — CID 157299554

About 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 157299554) has the molecular formula C70H72BClF2N6O12 and a molecular weight of 1273.64 g/mol. Its IUPAC name is 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• PubChem CID: 157299554
• Molecular Formula: C70H72BClF2N6O12
• Molecular Weight: 1273.64 g/mol
• Exact Mass: 1272.50
• IUPAC Name: 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;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.CN(CCO)C(=O)c1ccc(-c2cc3ncc(C4CC4)c(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(F)c1.CN(CCO)C(=O)c1ccc(-c2cc3ncc(C4CC4)c(Cl)c3o2)c(F)c1
• InChI: InChI=1S/C32H30FN3O5.C20H18ClFN2O3.C18H24BNO4/c1-36(10-11-37)32(38)21-4-6-24(26(33)15-21)29-16-27-31(41-29)30(25(18-35-27)19-2-3-19)20-5-7-28(22(14-20)17-34)40-23-8-12-39-13-9-23;1-24(6-7-25)20(26)12-4-5-13(15(22)8-12)17-9-16-19(27-17)18(21)14(10-23-16)11-2-3-11;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/h4-7,14-16,18-19,23,37H,2-3,8-13H2,1H3;4-5,8-11,25H,2-3,6-7H2,1H3;5-6,11,15H,7-10H2,1-4H3
• InChIKey: BBSWYZFLCQWJBR-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 236.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1273.64
LogP ≤ 5	12.32
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-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The IUPAC name of 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 157299554) is 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the SMILES notation for 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The canonical SMILES for 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;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.CN(CCO)C(=O)c1ccc(-c2cc3ncc(C4CC4)c(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(F)c1.CN(CCO)C(=O)c1ccc(-c2cc3ncc(C4CC4)c(Cl)c3o2)c(F)c1.

What is the InChIKey of 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The InChIKey is BBSWYZFLCQWJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O5.C20H18ClFN2O3.C18H24BNO4/c1-36(10-11-37)32(38)21-4-6-24(26(33)15-21)29-16-27-31(41-29)30(25(18-35-27)19-2-3-19)20-5-7-28(22(14-20)17-34)40-23-8-12-39-13-9-23;1-24(6-7-25)20(26)12-4-5-13(15(22)8-12)17-9-16-19(27-17)18(21)14(10-23-16)11-2-3-11;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/h4-7,14-16,18-19,23,37H,2-3,8-13H2,1H3;4-5,8-11,25H,2-3,6-7H2,1H3;5-6,11,15H,7-10H2,1-4H3.

What are the key properties of 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1273.64 g/mol, XLogP of 12.32, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 157299554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).