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

C72H80BClN6O14 — CID 158038910

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

4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile (PubChem CID 158038910) has the molecular formula C72H80BClN6O14 and a molecular weight of 1299.72 g/mol. Its IUPAC name is 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

• Compound Name: 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile
• PubChem CID: 158038910
• Molecular Formula: C72H80BClN6O14
• Molecular Weight: 1299.72 g/mol
• Exact Mass: 1298.55
• IUPAC Name: 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile
• SMILES: CC1(C)OB(C2=CC(C#N)=C(OC3CCOCC3)CC2)OC1(C)C.COc1cc(C(=O)N(C)CCO)ccc1-c1cc2ncc(C3CC3)c(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)CCO)ccc1-c1cc2ncc(C3CC3)c(Cl)c2o1
• InChI: InChI=1S/C33H33N3O6.C21H21ClN2O4.C18H26BNO4/c1-36(11-12-37)33(38)22-5-7-25(29(16-22)39-2)30-17-27-32(42-30)31(26(19-35-27)20-3-4-20)21-6-8-28(23(15-21)18-34)41-24-9-13-40-14-10-24;1-24(7-8-25)21(26)13-5-6-14(17(9-13)27-2)18-10-16-20(28-18)19(22)15(11-23-16)12-3-4-12;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/h5-8,15-17,19-20,24,37H,3-4,9-14H2,1-2H3;5-6,9-12,25H,3-4,7-8H2,1-2H3;11,15H,5-10H2,1-4H3
• InChIKey: FICLFSAOSFTIMB-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 254.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.72
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile?

The IUPAC name of 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile (CID 158038910) is 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile.

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

The canonical SMILES for 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile is CC1(C)OB(C2=CC(C#N)=C(OC3CCOCC3)CC2)OC1(C)C.COc1cc(C(=O)N(C)CCO)ccc1-c1cc2ncc(C3CC3)c(-c3ccc(OC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)CCO)ccc1-c1cc2ncc(C3CC3)c(Cl)c2o1.

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

The InChIKey is FICLFSAOSFTIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O6.C21H21ClN2O4.C18H26BNO4/c1-36(11-12-37)33(38)22-5-7-25(29(16-22)39-2)30-17-27-32(42-30)31(26(19-35-27)20-3-4-20)21-6-8-28(23(15-21)18-34)41-24-9-13-40-14-10-24;1-24(7-8-25)21(26)13-5-6-14(17(9-13)27-2)18-10-16-20(28-18)19(22)15(11-23-16)12-3-4-12;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/h5-8,15-17,19-20,24,37H,3-4,9-14H2,1-2H3;5-6,9-12,25H,3-4,7-8H2,1-2H3;11,15H,5-10H2,1-4H3.

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

4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 1299.72 g/mol, XLogP of 12.95, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-chloro-6-cyclopropylfuro[3,2-b]pyridin-2-yl)-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]-6-cyclopropylfuro[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-N-methylbenzamide;2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 158038910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).