3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one

C61H46Cl2F4N22O — CID 158921623

About 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one

3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one (PubChem CID 158921623) has the molecular formula C61H46Cl2F4N22O and a molecular weight of 1250.09 g/mol. Its IUPAC name is 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one.

Molecular Properties

• Compound Name: 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one
• PubChem CID: 158921623
• Molecular Formula: C61H46Cl2F4N22O
• Molecular Weight: 1250.09 g/mol
• Exact Mass: 1248.35
• IUPAC Name: 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one
• SMILES: Fc1ccccc1Cn1nc(-c2nnc(Cl)c(Cl)n2)c2cccnc21.O=c1cnnc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]1.[H]/N=C(\CN)c1nn(Cc2ccccc2F)c2ncccc12.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12
• InChI: InChI=1S/C16H9Cl2FN6.C16H11FN6O.C15H14FN5.C14H12FN5/c17-13-14(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;17-12-6-2-1-4-10(12)9-23-16-11(5-3-7-18-16)14(22-23)15-20-13(24)8-19-21-15;16-12-6-2-1-4-10(12)9-21-15-11(5-3-7-19-15)14(20-21)13(18)8-17;15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17/h1-7H,8H2;1-8H,9H2,(H,20,21,24);1-7,18H,8-9,17H2;1-7H,8H2,(H3,16,17)/b;;18-13+
• InChIKey: JHXDVJROHBDHSX-NCRSPBBGSA-N
• XLogP: 9.39
• TPSA: 319.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.09
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one?

The IUPAC name of 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one (CID 158921623) is 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one.

What is the SMILES notation for 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one?

The canonical SMILES for 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one is Fc1ccccc1Cn1nc(-c2nnc(Cl)c(Cl)n2)c2cccnc21.O=c1cnnc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]1.[H]/N=C(\CN)c1nn(Cc2ccccc2F)c2ncccc12.[H]/N=C(\N)c1nn(Cc2ccccc2F)c2ncccc12.

What is the InChIKey of 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one?

The InChIKey is JHXDVJROHBDHSX-NCRSPBBGSA-N. The full InChI is InChI=1S/C16H9Cl2FN6.C16H11FN6O.C15H14FN5.C14H12FN5/c17-13-14(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;17-12-6-2-1-4-10(12)9-23-16-11(5-3-7-18-16)14(22-23)15-20-13(24)8-19-21-15;16-12-6-2-1-4-10(12)9-21-15-11(5-3-7-19-15)14(20-21)13(18)8-17;15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17/h1-7H,8H2;1-8H,9H2,(H,20,21,24);1-7,18H,8-9,17H2;1-7H,8H2,(H3,16,17)/b;;18-13+;.

What are the key properties of 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one?

3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one has a molecular weight of 1250.09 g/mol, XLogP of 9.39, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,6-dichloro-1,2,4-triazin-3-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-iminoethanamine;3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 158921623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).