2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide

C26H19FN6O — CID 134138814

IUPAC2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2F)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C26H19FN6O/c27-22-16-28-14-13-21(22)25-26(19-9-5-2-6-10-19)33(32-31-25)17-24(34)30-23-12-11-20(15-29-23)18-7-3-1-4-8-18/h1-16H,17H2,(H,29,30,34)
InChIKeyHIKKUKRREAFDFJ-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.85
Rot. Bonds6

About 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide

2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 134138814) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID134138814
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2F)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C26H19FN6O/c27-22-16-28-14-13-21(22)25-26(19-9-5-2-6-10-19)33(32-31-25)17-24(34)30-23-12-11-20(15-29-23)18-7-3-1-4-8-18/h1-16H,17H2,(H,29,30,34)
InChIKeyHIKKUKRREAFDFJ-UHFFFAOYSA-N
XLogP4.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Las-101057
CID 16071896
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
2-[5-(4-cyanophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134133501
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134134596
N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134136275

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 134138814) is 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is O=C(Cn1nnc(-c2ccncc2F)c1-c1ccccc1)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is HIKKUKRREAFDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c27-22-16-28-14-13-21(22)25-26(19-9-5-2-6-10-19)33(32-31-25)17-24(34)30-23-12-11-20(15-29-23)18-7-3-1-4-8-18/h1-16H,17H2,(H,29,30,34).
What are the key properties of 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 450.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 134138814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).