2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C25H22FN5O2 — CID 158222485

IUPAC2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(CC(=O)c3ccccc3)ccc2F)n1
InChIInChI=1S/C25H22FN5O2/c1-16(2)31-15-27-30-24(31)21-9-6-10-23(28-21)29-25(33)19-13-17(11-12-20(19)26)14-22(32)18-7-4-3-5-8-18/h3-13,15-16H,14H2,1-2H3,(H,28,29,33)
InChIKeyPLESEOQCSHZALK-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.74
Rot. Bonds7

About 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 158222485) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID158222485
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(CC(=O)c3ccccc3)ccc2F)n1
InChIInChI=1S/C25H22FN5O2/c1-16(2)31-15-27-30-24(31)21-9-6-10-23(28-21)29-25(33)19-13-17(11-12-20(19)26)14-22(32)18-7-4-3-5-8-18/h3-13,15-16H,14H2,1-2H3,(H,28,29,33)
InChIKeyPLESEOQCSHZALK-UHFFFAOYSA-N
XLogP4.74
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

Selonsertib
CID 71245288
3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
Takeda103A
CID 11155477
3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl}-N,N-dimethylbenzamide
CID 23647109
B-Raf IN 1
CID 24884503
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-phenylurea
CID 16739794
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-(dimethylamino)-4-(methylaminomethyl)-3H-isoindol-1-one
CID 157038858
2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2-Yl}-2,3-Dihydro-1h-Isoindol-1-One
CID 127053602
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
Selective PI3Kdelta Inhibitor 1
CID 137661516
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-3-methylbenzamide
CID 7217794

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 158222485) is 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(CC(=O)c3ccccc3)ccc2F)n1.
What is the InChIKey of 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is PLESEOQCSHZALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-16(2)31-15-27-30-24(31)21-9-6-10-23(28-21)29-25(33)19-13-17(11-12-20(19)26)14-22(32)18-7-4-3-5-8-18/h3-13,15-16H,14H2,1-2H3,(H,28,29,33).
What are the key properties of 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 443.48 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-phenacyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 158222485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).