6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide

C18H15FN6O2S2 — CID 144848898

IUPAC6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide
SMILESCc1cc(Oc2cncc(F)c2)cn2ncnc12.O=CNc1cc(S)cc(=S)[nH]1
InChIInChI=1S/C12H9FN4O.C6H6N2OS2/c1-8-2-11(6-17-12(8)15-7-16-17)18-10-3-9(13)4-14-5-10;9-3-7-5-1-4(10)2-6(11)8-5/h2-7H,1H3;1-3H,(H3,7,8,9,10,11)
InChIKeyQUEBCXPTPDFACM-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.97
Rot. Bonds4

About 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide

6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide (PubChem CID 144848898) has the molecular formula C18H15FN6O2S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide.

Molecular Properties

Compound Name6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide
PubChem CID144848898
Molecular FormulaC18H15FN6O2S2
Molecular Weight430.49 g/mol
Exact Mass430.07
IUPAC Name6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide
SMILESCc1cc(Oc2cncc(F)c2)cn2ncnc12.O=CNc1cc(S)cc(=S)[nH]1
InChIInChI=1S/C12H9FN4O.C6H6N2OS2/c1-8-2-11(6-17-12(8)15-7-16-17)18-10-3-9(13)4-14-5-10;9-3-7-5-1-4(10)2-6(11)8-5/h2-7H,1H3;1-3H,(H3,7,8,9,10,11)
InChIKeyQUEBCXPTPDFACM-UHFFFAOYSA-N
XLogP3.97
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide?
The IUPAC name of 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide (CID 144848898) is 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide.
What is the SMILES notation for 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide?
The canonical SMILES for 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide is Cc1cc(Oc2cncc(F)c2)cn2ncnc12.O=CNc1cc(S)cc(=S)[nH]1.
What is the InChIKey of 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide?
The InChIKey is QUEBCXPTPDFACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O.C6H6N2OS2/c1-8-2-11(6-17-12(8)15-7-16-17)18-10-3-9(13)4-14-5-10;9-3-7-5-1-4(10)2-6(11)8-5/h2-7H,1H3;1-3H,(H3,7,8,9,10,11).
What are the key properties of 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide?
6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide has a molecular weight of 430.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-3-pyridinyl)oxy]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine;N-(4-sulfanyl-6-sulfanylidene-1H-pyridin-2-yl)formamide is sourced from PubChem (CID 144848898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).