7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine

C23H22F3N5O — CID 158757852

IUPAC7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCCCc2ccccc2OC(F)(F)F)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)32-19-13-7-5-11-16(19)10-4-6-12-17(15-8-2-1-3-9-15)18-14-20(27)28-22-21(18)29-31-30-22/h1-3,5,7-9,11,13-14,17H,4,6,10,12H2,(H3,27,28,29,30,31)
InChIKeyIOHHFDISIQNKBP-UHFFFAOYSA-N
MW441.46 g/mol
LogP5.38
Rot. Bonds8

About 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 158757852) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID158757852
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCCCc2ccccc2OC(F)(F)F)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C23H22F3N5O/c24-23(25,26)32-19-13-7-5-11-16(19)10-4-6-12-17(15-8-2-1-3-9-15)18-14-20(27)28-22-21(18)29-31-30-22/h1-3,5,7-9,11,13-14,17H,4,6,10,12H2,(H3,27,28,29,30,31)
InChIKeyIOHHFDISIQNKBP-UHFFFAOYSA-N
XLogP5.38
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.46
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 158757852) is 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCCCc2ccccc2OC(F)(F)F)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is IOHHFDISIQNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c24-23(25,26)32-19-13-7-5-11-16(19)10-4-6-12-17(15-8-2-1-3-9-15)18-14-20(27)28-22-21(18)29-31-30-22/h1-3,5,7-9,11,13-14,17H,4,6,10,12H2,(H3,27,28,29,30,31).
What are the key properties of 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 441.46 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 158757852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).