N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide

C19H16FN5O2 — CID 122540762

IUPACN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)C3CCCOC3)cc3ncnn23)cc1F
InChIInChI=1S/C19H16FN5O2/c20-16-6-12(3-4-13(16)9-21)17-7-15(8-18-22-11-23-25(17)18)24-19(26)14-2-1-5-27-10-14/h3-4,6-8,11,14H,1-2,5,10H2,(H,24,26)
InChIKeyKHFHDZBRLLQNHL-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.77
Rot. Bonds3

About N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide (PubChem CID 122540762) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
PubChem CID122540762
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)C3CCCOC3)cc3ncnn23)cc1F
InChIInChI=1S/C19H16FN5O2/c20-16-6-12(3-4-13(16)9-21)17-7-15(8-18-22-11-23-25(17)18)24-19(26)14-2-1-5-27-10-14/h3-4,6-8,11,14H,1-2,5,10H2,(H,24,26)
InChIKeyKHFHDZBRLLQNHL-UHFFFAOYSA-N
XLogP2.77
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide with MolForge

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Related Compounds

oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 122540679
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-methyloxetane-3-carboxamide
CID 122540738
1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea
CID 122540282
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide
CID 122540403
N-[5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
CID 122540630
2-fluoro-4-[7-[(3-phenyloxetan-3-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540420
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095
4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 159107801
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
5-(4-cyanophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 122540294

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide?
The IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide (CID 122540762) is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide?
The canonical SMILES for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide is N#Cc1ccc(-c2cc(NC(=O)C3CCCOC3)cc3ncnn23)cc1F.
What is the InChIKey of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide?
The InChIKey is KHFHDZBRLLQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-16-6-12(3-4-13(16)9-21)17-7-15(8-18-22-11-23-25(17)18)24-19(26)14-2-1-5-27-10-14/h3-4,6-8,11,14H,1-2,5,10H2,(H,24,26).
What are the key properties of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide?
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide is sourced from PubChem (CID 122540762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).