N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C18H12F2N6O2 — CID 118104064

About N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 118104064) has the molecular formula C18H12F2N6O2 and a molecular weight of 382.33 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• PubChem CID: 118104064
• Molecular Formula: C18H12F2N6O2
• Molecular Weight: 382.33 g/mol
• Exact Mass: 382.10
• IUPAC Name: N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
• SMILES: Cc1nnc2c(C(=O)Nc3cccc(F)n3)cc(Oc3cncc(F)c3)cn12
• InChI: InChI=1S/C18H12F2N6O2/c1-10-24-25-17-14(18(27)23-16-4-2-3-15(20)22-16)6-13(9-26(10)17)28-12-5-11(19)7-21-8-12/h2-9H,1H3,(H,22,23,27)
• InChIKey: FIEJPFCLCNDOCS-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.33
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The IUPAC name of N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 118104064) is N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The canonical SMILES for N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1nnc2c(C(=O)Nc3cccc(F)n3)cc(Oc3cncc(F)c3)cn12.

What is the InChIKey of N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

The InChIKey is FIEJPFCLCNDOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6O2/c1-10-24-25-17-14(18(27)23-16-4-2-3-15(20)22-16)6-13(9-26(10)17)28-12-5-11(19)7-21-8-12/h2-9H,1H3,(H,22,23,27).

What are the key properties of N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?

N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 382.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 118104064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).