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

C18H13F2N5O — CID 122540348

IUPACN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)C3CC(F)C3)cc3ncnn23)cc1F
InChIInChI=1S/C18H13F2N5O/c19-13-3-12(4-13)18(26)24-14-6-16(25-17(7-14)22-9-23-25)10-1-2-11(8-21)15(20)5-10/h1-2,5-7,9,12-13H,3-4H2,(H,24,26)
InChIKeyRBCCWUJRBHHFSC-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.09
Rot. Bonds3

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

N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide (PubChem CID 122540348) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide
PubChem CID122540348
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide
SMILESN#Cc1ccc(-c2cc(NC(=O)C3CC(F)C3)cc3ncnn23)cc1F
InChIInChI=1S/C18H13F2N5O/c19-13-3-12(4-13)18(26)24-14-6-16(25-17(7-14)22-9-23-25)10-1-2-11(8-21)15(20)5-10/h1-2,5-7,9,12-13H,3-4H2,(H,24,26)
InChIKeyRBCCWUJRBHHFSC-UHFFFAOYSA-N
XLogP3.09
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-3-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide (CID 122540348) is N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide is N#Cc1ccc(-c2cc(NC(=O)C3CC(F)C3)cc3ncnn23)cc1F.
What is the InChIKey of N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide?
The InChIKey is RBCCWUJRBHHFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-13-3-12(4-13)18(26)24-14-6-16(25-17(7-14)22-9-23-25)10-1-2-11(8-21)15(20)5-10/h1-2,5-7,9,12-13H,3-4H2,(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]-3-fluorocyclobutane-1-carboxamide?
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-fluorocyclobutane-1-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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]-3-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 122540348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).