4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one

C19H17FN6O2 — CID 129157514

IUPAC4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one
SMILESC/C=N/c1ccn(Cc2nnc3c(F)cc(-c4cc(C)no4)cn23)c(=O)c1C
InChIInChI=1S/C19H17FN6O2/c1-4-21-15-5-6-25(19(27)12(15)3)10-17-22-23-18-14(20)8-13(9-26(17)18)16-7-11(2)24-28-16/h4-9H,10H2,1-3H3/b21-4+
InChIKeyXWKPZUXLCXBVNE-IPBDZQFASA-N
MW380.38 g/mol
LogP3.07
Rot. Bonds4

About 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one

4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one (PubChem CID 129157514) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one
PubChem CID129157514
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one
SMILESC/C=N/c1ccn(Cc2nnc3c(F)cc(-c4cc(C)no4)cn23)c(=O)c1C
InChIInChI=1S/C19H17FN6O2/c1-4-21-15-5-6-25(19(27)12(15)3)10-17-22-23-18-14(20)8-13(9-26(17)18)16-7-11(2)24-28-16/h4-9H,10H2,1-3H3/b21-4+
InChIKeyXWKPZUXLCXBVNE-IPBDZQFASA-N
XLogP3.07
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one?
The IUPAC name of 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one (CID 129157514) is 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one?
The canonical SMILES for 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one is C/C=N/c1ccn(Cc2nnc3c(F)cc(-c4cc(C)no4)cn23)c(=O)c1C.
What is the InChIKey of 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one?
The InChIKey is XWKPZUXLCXBVNE-IPBDZQFASA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-4-21-15-5-6-25(19(27)12(15)3)10-17-22-23-18-14(20)8-13(9-26(17)18)16-7-11(2)24-28-16/h4-9H,10H2,1-3H3/b21-4+.
What are the key properties of 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one?
4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one has a molecular weight of 380.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-1-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 129157514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).