N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide

C17H19F3N8O — CID 154982629

IUPACN-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide
SMILESCC(F)(F)c1ccc(CNC(=O)c2cn(CCC(F)Cn3ccnn3)nn2)cn1
InChIInChI=1S/C17H19F3N8O/c1-17(19,20)15-3-2-12(8-21-15)9-22-16(29)14-11-27(26-24-14)6-4-13(18)10-28-7-5-23-25-28/h2-3,5,7-8,11,13H,4,6,9-10H2,1H3,(H,22,29)
InChIKeyOFYSCUOMPFDFHN-UHFFFAOYSA-N
MW408.39 g/mol
LogP1.73
Rot. Bonds9

About N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide

N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide (PubChem CID 154982629) has the molecular formula C17H19F3N8O and a molecular weight of 408.39 g/mol. Its IUPAC name is N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide
PubChem CID154982629
Molecular FormulaC17H19F3N8O
Molecular Weight408.39 g/mol
Exact Mass408.16
IUPAC NameN-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide
SMILESCC(F)(F)c1ccc(CNC(=O)c2cn(CCC(F)Cn3ccnn3)nn2)cn1
InChIInChI=1S/C17H19F3N8O/c1-17(19,20)15-3-2-12(8-21-15)9-22-16(29)14-11-27(26-24-14)6-4-13(18)10-28-7-5-23-25-28/h2-3,5,7-8,11,13H,4,6,9-10H2,1H3,(H,22,29)
InChIKeyOFYSCUOMPFDFHN-UHFFFAOYSA-N
XLogP1.73
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[6-[difluoro(iodo)methyl]-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 146527547
1-[3-fluoro-4-(4-formyltriazol-1-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 154982684
1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 158710662
1-[3-fluoro-4-[4-[(6-methyl-3-pyridinyl)methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118640398
1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118646559
methyl 1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxylate
CID 118640404
N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[3-fluoro-4-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 162124818
N-[(4-cyclopropyl-2-pyridinyl)methyl]-1-[4-[4-[[3-(1,1-difluoroethoxy)phenyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]triazole-4-carboxamide
CID 146527470
1-[3-fluoro-4-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646624
1-[2-fluoro-4-(3-fluoro-4-methyl-2-oxo-1-pyridinyl)butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 162574570
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 160827595
N-[(2-fluoro-5-hydroxyphenyl)methyl]-1-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 118640405

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide?
The IUPAC name of N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide (CID 154982629) is N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide.
What is the SMILES notation for N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide?
The canonical SMILES for N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide is CC(F)(F)c1ccc(CNC(=O)c2cn(CCC(F)Cn3ccnn3)nn2)cn1.
What is the InChIKey of N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide?
The InChIKey is OFYSCUOMPFDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8O/c1-17(19,20)15-3-2-12(8-21-15)9-22-16(29)14-11-27(26-24-14)6-4-13(18)10-28-7-5-23-25-28/h2-3,5,7-8,11,13H,4,6,9-10H2,1H3,(H,22,29).
What are the key properties of N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide?
N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide has a molecular weight of 408.39 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-(triazol-1-yl)butyl]triazole-4-carboxamide is sourced from PubChem (CID 154982629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).