6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine

C21H16F2N8O — CID 162722000

IUPAC6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
SMILESCNc1ccc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2n1
InChIInChI=1S/C21H16F2N8O/c1-24-18-7-4-12-8-13(3-6-16(12)26-18)17-11-31(30-27-17)10-15-5-2-14(9-25-15)20-28-29-21(32-20)19(22)23/h2-9,11,19H,10H2,1H3,(H,24,26)
InChIKeyAAVXCCLEBMDRBK-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.97
Rot. Bonds6

About 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine

6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine (PubChem CID 162722000) has the molecular formula C21H16F2N8O and a molecular weight of 434.41 g/mol. Its IUPAC name is 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
PubChem CID162722000
Molecular FormulaC21H16F2N8O
Molecular Weight434.41 g/mol
Exact Mass434.14
IUPAC Name6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
SMILESCNc1ccc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2n1
InChIInChI=1S/C21H16F2N8O/c1-24-18-7-4-12-8-13(3-6-16(12)26-18)17-11-31(30-27-17)10-15-5-2-14(9-25-15)20-28-29-21(32-20)19(22)23/h2-9,11,19H,10H2,1H3,(H,24,26)
InChIKeyAAVXCCLEBMDRBK-UHFFFAOYSA-N
XLogP3.97
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-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 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine?
The IUPAC name of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine (CID 162722000) is 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine.
What is the SMILES notation for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine?
The canonical SMILES for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine is CNc1ccc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2n1.
What is the InChIKey of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine?
The InChIKey is AAVXCCLEBMDRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N8O/c1-24-18-7-4-12-8-13(3-6-16(12)26-18)17-11-31(30-27-17)10-15-5-2-14(9-25-15)20-28-29-21(32-20)19(22)23/h2-9,11,19H,10H2,1H3,(H,24,26).
What are the key properties of 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine?
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine has a molecular weight of 434.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine is sourced from PubChem (CID 162722000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).