6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C62H64BCl3N10O10 — CID 157074867

About 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 157074867) has the molecular formula C62H64BCl3N10O10 and a molecular weight of 1226.42 g/mol. Its IUPAC name is 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• PubChem CID: 157074867
• Molecular Formula: C62H64BCl3N10O10
• Molecular Weight: 1226.42 g/mol
• Exact Mass: 1224.40
• IUPAC Name: 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;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)N(C)C)cnc1-c1cc2ncc(Cl)c(-c3ccc(NC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)cnc1-c1cc2ncc(Cl)c(Cl)c2o1
• InChI: InChI=1S/C28H26ClN5O4.C18H25BN2O3.C16H13Cl2N3O3/c1-34(2)28(35)18-11-23(36-3)26(32-14-18)24-12-22-27(38-24)25(20(29)15-31-22)16-4-5-21(17(10-16)13-30)33-19-6-8-37-9-7-19;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;1-21(2)16(22)8-4-11(23-3)14(20-6-8)12-5-10-15(24-12)13(18)9(17)7-19-10/h4-5,10-12,14-15,19,33H,6-9H2,1-3H3;5-6,11,15,21H,7-10H2,1-4H3;4-7H,1-3H3
• InChIKey: ACVXIZLWPTTXKJ-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 245.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.42
LogP ≤ 5	11.74
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 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The IUPAC name of 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 157074867) is 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the SMILES notation for 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The canonical SMILES for 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;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)N(C)C)cnc1-c1cc2ncc(Cl)c(-c3ccc(NC4CCOCC4)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)cnc1-c1cc2ncc(Cl)c(Cl)c2o1.

What is the InChIKey of 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The InChIKey is ACVXIZLWPTTXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O4.C18H25BN2O3.C16H13Cl2N3O3/c1-34(2)28(35)18-11-23(36-3)26(32-14-18)24-12-22-27(38-24)25(20(29)15-31-22)16-4-5-21(17(10-16)13-30)33-19-6-8-37-9-7-19;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;1-21(2)16(22)8-4-11(23-3)14(20-6-8)12-5-10-15(24-12)13(18)9(17)7-19-10/h4-5,10-12,14-15,19,33H,6-9H2,1-3H3;5-6,11,15,21H,7-10H2,1-4H3;4-7H,1-3H3.

What are the key properties of 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1226.42 g/mol, XLogP of 11.74, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-chloro-7-[3-cyano-4-(oxan-4-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-(6,7-dichlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;2-(oxan-4-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 157074867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).