N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide

C23H20F4N6O3 — CID 129157492

IUPACN-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide
SMILESCc1cc(-c2cc(F)c3nnc(C(C)N(C=O)/C=C\c4ncc(OCC(F)(F)F)cc4C)n3c2)on1
InChIInChI=1S/C23H20F4N6O3/c1-13-6-17(35-11-23(25,26)27)9-28-19(13)4-5-32(12-34)15(3)21-29-30-22-18(24)8-16(10-33(21)22)20-7-14(2)31-36-20/h4-10,12,15H,11H2,1-3H3/b5-4-
InChIKeyUCDHOKNUXLRSKK-PLNGDYQASA-N
MW504.44 g/mol
LogP4.67
Rot. Bonds8

About N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide

N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide (PubChem CID 129157492) has the molecular formula C23H20F4N6O3 and a molecular weight of 504.44 g/mol. Its IUPAC name is N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide.

Molecular Properties

Compound NameN-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide
PubChem CID129157492
Molecular FormulaC23H20F4N6O3
Molecular Weight504.44 g/mol
Exact Mass504.15
IUPAC NameN-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide
SMILESCc1cc(-c2cc(F)c3nnc(C(C)N(C=O)/C=C\c4ncc(OCC(F)(F)F)cc4C)n3c2)on1
InChIInChI=1S/C23H20F4N6O3/c1-13-6-17(35-11-23(25,26)27)9-28-19(13)4-5-32(12-34)15(3)21-29-30-22-18(24)8-16(10-33(21)22)20-7-14(2)31-36-20/h4-10,12,15H,11H2,1-3H3/b5-4-
InChIKeyUCDHOKNUXLRSKK-PLNGDYQASA-N
XLogP4.67
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide?
The IUPAC name of N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide (CID 129157492) is N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide.
What is the SMILES notation for N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide?
The canonical SMILES for N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide is Cc1cc(-c2cc(F)c3nnc(C(C)N(C=O)/C=C\c4ncc(OCC(F)(F)F)cc4C)n3c2)on1.
What is the InChIKey of N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide?
The InChIKey is UCDHOKNUXLRSKK-PLNGDYQASA-N. The full InChI is InChI=1S/C23H20F4N6O3/c1-13-6-17(35-11-23(25,26)27)9-28-19(13)4-5-32(12-34)15(3)21-29-30-22-18(24)8-16(10-33(21)22)20-7-14(2)31-36-20/h4-10,12,15H,11H2,1-3H3/b5-4-.
What are the key properties of N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide?
N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide has a molecular weight of 504.44 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]formamide is sourced from PubChem (CID 129157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).