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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide

C25H23FN8O2 — CID 130284059

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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide
SMILESCc1cc(-c2cc(F)c3nnc(C(C)N(C=O)/C=C\c4ncc(-c5cnn(C)c5)cc4C)n3c2)on1
InChIInChI=1S/C25H23FN8O2/c1-15-7-18(20-11-28-32(4)12-20)10-27-22(15)5-6-33(14-35)17(3)24-29-30-25-21(26)9-19(13-34(24)25)23-8-16(2)31-36-23/h5-14,17H,1-4H3/b6-5-
InChIKeyYFXJHBIRVOCIOD-WAYWQWQTSA-N
MW486.51 g/mol
LogP4.13
Rot. Bonds7

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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide (PubChem CID 130284059) has the molecular formula C25H23FN8O2 and a molecular weight of 486.51 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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide
PubChem CID130284059
Molecular FormulaC25H23FN8O2
Molecular Weight486.51 g/mol
Exact Mass486.19
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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide
SMILESCc1cc(-c2cc(F)c3nnc(C(C)N(C=O)/C=C\c4ncc(-c5cnn(C)c5)cc4C)n3c2)on1
InChIInChI=1S/C25H23FN8O2/c1-15-7-18(20-11-28-32(4)12-20)10-27-22(15)5-6-33(14-35)17(3)24-29-30-25-21(26)9-19(13-34(24)25)23-8-16(2)31-36-23/h5-14,17H,1-4H3/b6-5-
InChIKeyYFXJHBIRVOCIOD-WAYWQWQTSA-N
XLogP4.13
TPSA107.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide (CID 130284059) 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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide is Cc1cc(-c2cc(F)c3nnc(C(C)N(C=O)/C=C\c4ncc(-c5cnn(C)c5)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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide?
The InChIKey is YFXJHBIRVOCIOD-WAYWQWQTSA-N. The full InChI is InChI=1S/C25H23FN8O2/c1-15-7-18(20-11-28-32(4)12-20)10-27-22(15)5-6-33(14-35)17(3)24-29-30-25-21(26)9-19(13-34(24)25)23-8-16(2)31-36-23/h5-14,17H,1-4H3/b6-5-.
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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide has a molecular weight of 486.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide is sourced from PubChem (CID 130284059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).