6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C46H48BClN12O8 — CID 158258353

About 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 158258353) has the molecular formula C46H48BClN12O8 and a molecular weight of 943.23 g/mol. Its IUPAC name is 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

• Compound Name: 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• PubChem CID: 158258353
• Molecular Formula: C46H48BClN12O8
• Molecular Weight: 943.23 g/mol
• Exact Mass: 942.35
• IUPAC Name: 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• SMILES: CC1(C)OB(c2ccc(C(N)=O)cc2)OC1(C)C.COc1ccc(Nc2cc(-c3ccc(C(N)=O)cc3)cn3ncnc23)nc1OC.COc1ccc(Nc2cc(Cl)cn3ncnc23)nc1OC
• InChI: InChI=1S/C20H18N6O3.C13H18BNO3.C13H12ClN5O2/c1-28-16-7-8-17(25-20(16)29-2)24-15-9-14(10-26-19(15)22-11-23-26)12-3-5-13(6-4-12)18(21)27;1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16;1-20-10-3-4-11(18-13(10)21-2)17-9-5-8(14)6-19-12(9)15-7-16-19/h3-11H,1-2H3,(H2,21,27)(H,24,25);5-8H,1-4H3,(H2,15,16);3-7H,1-2H3,(H,17,18)
• InChIKey: GHOGIEUHKDUTPL-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 251.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.23
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	4
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-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The IUPAC name of 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 158258353) is 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

What is the SMILES notation for 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The canonical SMILES for 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CC1(C)OB(c2ccc(C(N)=O)cc2)OC1(C)C.COc1ccc(Nc2cc(-c3ccc(C(N)=O)cc3)cn3ncnc23)nc1OC.COc1ccc(Nc2cc(Cl)cn3ncnc23)nc1OC.

What is the InChIKey of 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The InChIKey is GHOGIEUHKDUTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3.C13H18BNO3.C13H12ClN5O2/c1-28-16-7-8-17(25-20(16)29-2)24-15-9-14(10-26-19(15)22-11-23-26)12-3-5-13(6-4-12)18(21)27;1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16;1-20-10-3-4-11(18-13(10)21-2)17-9-5-8(14)6-19-12(9)15-7-16-19/h3-11H,1-2H3,(H2,21,27)(H,24,25);5-8H,1-4H3,(H2,15,16);3-7H,1-2H3,(H,17,18).

What are the key properties of 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 943.23 g/mol, XLogP of 6.27, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(5,6-dimethoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 158258353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).