2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C21H19F2N7O — CID 151050971

IUPAC2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESN#Cc1ccc(Cn2ncc(C(C(N)=O)c3cnc(N4CCCC4)c(F)c3)n2)cc1F
InChIInChI=1S/C21H19F2N7O/c22-16-7-13(3-4-14(16)9-24)12-30-27-11-18(28-30)19(20(25)31)15-8-17(23)21(26-10-15)29-5-1-2-6-29/h3-4,7-8,10-11,19H,1-2,5-6,12H2,(H2,25,31)
InChIKeyMECQXYITEHPGOD-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.09
Rot. Bonds6

About 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 151050971) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID151050971
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC Name2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESN#Cc1ccc(Cn2ncc(C(C(N)=O)c3cnc(N4CCCC4)c(F)c3)n2)cc1F
InChIInChI=1S/C21H19F2N7O/c22-16-7-13(3-4-14(16)9-24)12-30-27-11-18(28-30)19(20(25)31)15-8-17(23)21(26-10-15)29-5-1-2-6-29/h3-4,7-8,10-11,19H,1-2,5-6,12H2,(H2,25,31)
InChIKeyMECQXYITEHPGOD-UHFFFAOYSA-N
XLogP2.09
TPSA113.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide 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 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 151050971) is 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide is N#Cc1ccc(Cn2ncc(C(C(N)=O)c3cnc(N4CCCC4)c(F)c3)n2)cc1F.
What is the InChIKey of 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is MECQXYITEHPGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c22-16-7-13(3-4-14(16)9-24)12-30-27-11-18(28-30)19(20(25)31)15-8-17(23)21(26-10-15)29-5-1-2-6-29/h3-4,7-8,10-11,19H,1-2,5-6,12H2,(H2,25,31).
What are the key properties of 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 423.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(5-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 151050971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).