6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine

C58H45BCl3F3N22O4 — CID 159955607

About 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine

6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine (PubChem CID 159955607) has the molecular formula C58H45BCl3F3N22O4 and a molecular weight of 1288.31 g/mol. Its IUPAC name is 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine.

Molecular Properties

• Compound Name: 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
• PubChem CID: 159955607
• Molecular Formula: C58H45BCl3F3N22O4
• Molecular Weight: 1288.31 g/mol
• Exact Mass: 1286.31
• IUPAC Name: 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
• SMILES: Cc1noc(C)c1-c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N.Cc1noc(C)c1B(O)O.Fc1ccccc1Cn1nc(-c2nnc(Cl)c(Cl)n2)c2cccnc21.Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nnc1Cl
• InChI: InChI=1S/C21H17FN8O.C16H9Cl2FN6.C16H11ClFN7.C5H8BNO3/c1-11-16(12(2)31-29-11)18-19(23)25-20(27-26-18)17-14-7-5-9-24-21(14)30(28-17)10-13-6-3-4-8-15(13)22;17-13-14(18)22-23-15(21-13)12-10-5-3-7-20-16(10)25(24-12)8-9-4-1-2-6-11(9)19;17-13-14(19)21-15(23-22-13)12-10-5-3-7-20-16(10)25(24-12)8-9-4-1-2-6-11(9)18;1-3-5(6(8)9)4(2)10-7-3/h3-9H,10H2,1-2H3,(H2,23,25,27);1-7H,8H2;1-7H,8H2,(H2,19,21,23);8-9H,1-2H3
• InChIKey: OCRCFPPQWZMPDG-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 352.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.31
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?

The IUPAC name of 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine (CID 159955607) is 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine.

What is the SMILES notation for 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?

The canonical SMILES for 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine is Cc1noc(C)c1-c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N.Cc1noc(C)c1B(O)O.Fc1ccccc1Cn1nc(-c2nnc(Cl)c(Cl)n2)c2cccnc21.Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nnc1Cl.

What is the InChIKey of 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?

The InChIKey is OCRCFPPQWZMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN8O.C16H9Cl2FN6.C16H11ClFN7.C5H8BNO3/c1-11-16(12(2)31-29-11)18-19(23)25-20(27-26-18)17-14-7-5-9-24-21(14)30(28-17)10-13-6-3-4-8-15(13)22;17-13-14(18)22-23-15(21-13)12-10-5-3-7-20-16(10)25(24-12)8-9-4-1-2-6-11(9)19;17-13-14(19)21-15(23-22-13)12-10-5-3-7-20-16(10)25(24-12)8-9-4-1-2-6-11(9)18;1-3-5(6(8)9)4(2)10-7-3/h3-9H,10H2,1-2H3,(H2,23,25,27);1-7H,8H2;1-7H,8H2,(H2,19,21,23);8-9H,1-2H3.

What are the key properties of 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine?

6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine has a molecular weight of 1288.31 g/mol, XLogP of 8.78, 11 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine;3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 159955607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).