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

C17H12FN5O2 — CID 122540326

IUPACN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)C3COC3)cc3ncnn23)cc1F
InChIInChI=1S/C17H12FN5O2/c18-14-3-10(1-2-11(14)6-19)15-4-13(5-16-20-9-21-23(15)16)22-17(24)12-7-25-8-12/h1-5,9,12H,7-8H2,(H,22,24)
InChIKeyPNFRXPLISINJNC-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.99
Rot. Bonds3

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

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide (PubChem CID 122540326) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide
PubChem CID122540326
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)C3COC3)cc3ncnn23)cc1F
InChIInChI=1S/C17H12FN5O2/c18-14-3-10(1-2-11(14)6-19)15-4-13(5-16-20-9-21-23(15)16)22-17(24)12-7-25-8-12/h1-5,9,12H,7-8H2,(H,22,24)
InChIKeyPNFRXPLISINJNC-UHFFFAOYSA-N
XLogP1.99
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]oxetane-3-carboxamide?
The IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide (CID 122540326) is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide.
What is the SMILES notation for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide?
The canonical SMILES for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide is N#Cc1ccc(-c2cc(NC(=O)C3COC3)cc3ncnn23)cc1F.
What is the InChIKey of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide?
The InChIKey is PNFRXPLISINJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-14-3-10(1-2-11(14)6-19)15-4-13(5-16-20-9-21-23(15)16)22-17(24)12-7-25-8-12/h1-5,9,12H,7-8H2,(H,22,24).
What are the key properties of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide?
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxetane-3-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 1.99, 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]oxetane-3-carboxamide is sourced from PubChem (CID 122540326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).