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

C18H13FN6O3 — CID 118104120

IUPACN-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1cncc(Oc2cc(C(=O)Nc3ccc(F)cn3)c3nncn3c2)c1
InChIInChI=1S/C18H13FN6O3/c1-27-12-4-13(8-20-7-12)28-14-5-15(17-24-22-10-25(17)9-14)18(26)23-16-3-2-11(19)6-21-16/h2-10H,1H3,(H,21,23,26)
InChIKeyRIEJEJBXPKINRJ-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.71
Rot. Bonds5

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

N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 118104120) has the molecular formula C18H13FN6O3 and a molecular weight of 380.34 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID118104120
Molecular FormulaC18H13FN6O3
Molecular Weight380.34 g/mol
Exact Mass380.10
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1cncc(Oc2cc(C(=O)Nc3ccc(F)cn3)c3nncn3c2)c1
InChIInChI=1S/C18H13FN6O3/c1-27-12-4-13(8-20-7-12)28-14-5-15(17-24-22-10-25(17)9-14)18(26)23-16-3-2-11(19)6-21-16/h2-10H,1H3,(H,21,23,26)
InChIKeyRIEJEJBXPKINRJ-UHFFFAOYSA-N
XLogP2.71
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 118104120) is N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-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-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1cncc(Oc2cc(C(=O)Nc3ccc(F)cn3)c3nncn3c2)c1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is RIEJEJBXPKINRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O3/c1-27-12-4-13(8-20-7-12)28-14-5-15(17-24-22-10-25(17)9-14)18(26)23-16-3-2-11(19)6-21-16/h2-10H,1H3,(H,21,23,26).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 380.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 118104120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).