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

C17H10F2N6O2 — CID 118096899

IUPACN-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2)cn2cnnc12
InChIInChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26)
InChIKeyLDLCJJXQJNSUAB-UHFFFAOYSA-N
MW368.30 g/mol
LogP2.84
Rot. Bonds4

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

N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 118096899) has the molecular formula C17H10F2N6O2 and a molecular weight of 368.30 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID118096899
Molecular FormulaC17H10F2N6O2
Molecular Weight368.30 g/mol
Exact Mass368.08
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2)cn2cnnc12
InChIInChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26)
InChIKeyLDLCJJXQJNSUAB-UHFFFAOYSA-N
XLogP2.84
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 118096899) is N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2)cn2cnnc12.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is LDLCJJXQJNSUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)23-17(26)14-4-13(8-25-9-22-24-16(14)25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,23,26).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 368.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 118096899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).