N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C22H17F3N4O — CID 134800348

IUPACN-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2c1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)18-8-4-7-16(13-18)20-28-27-19-10-9-17(14-29(19)20)21(30)26-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,26,30)
InChIKeyMSNZTERHDCPXJO-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.39
Rot. Bonds5

About N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134800348) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134800348
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2c1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)18-8-4-7-16(13-18)20-28-27-19-10-9-17(14-29(19)20)21(30)26-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,26,30)
InChIKeyMSNZTERHDCPXJO-UHFFFAOYSA-N
XLogP4.39
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134800348) is N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCc1ccccc1)c1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2c1.
What is the InChIKey of N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MSNZTERHDCPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c23-22(24,25)18-8-4-7-16(13-18)20-28-27-19-10-9-17(14-29(19)20)21(30)26-12-11-15-5-2-1-3-6-15/h1-10,13-14H,11-12H2,(H,26,30).
What are the key properties of N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134800348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).