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

C24H21FN6O2 — CID 158699495

IUPAC2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(CC(=O)c3ccncc3)ccc2F)n1
InChIInChI=1S/C24H21FN6O2/c1-15(2)31-14-27-30-23(31)20-4-3-5-22(28-20)29-24(33)18-12-16(6-7-19(18)25)13-21(32)17-8-10-26-11-9-17/h3-12,14-15H,13H2,1-2H3,(H,28,29,33)
InChIKeyCHTKAOZLUNMTTP-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.13
Rot. Bonds7

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

2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 158699495) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID158699495
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(CC(=O)c3ccncc3)ccc2F)n1
InChIInChI=1S/C24H21FN6O2/c1-15(2)31-14-27-30-23(31)20-4-3-5-22(28-20)29-24(33)18-12-16(6-7-19(18)25)13-21(32)17-8-10-26-11-9-17/h3-12,14-15H,13H2,1-2H3,(H,28,29,33)
InChIKeyCHTKAOZLUNMTTP-UHFFFAOYSA-N
XLogP4.13
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-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
Jqez5
CID 121322599
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
US10774086, Example 7
CID 134551551
US10774086, Example 30
CID 134551973
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 137348940
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
4-[8-amino-3-[(1R,3S)-3-(2-methyltetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137648135
Selective PI3Kdelta Inhibitor 1
CID 137661516
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 158699495) is 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-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)c3ccncc3)ccc2F)n1.
What is the InChIKey of 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is CHTKAOZLUNMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-15(2)31-14-27-30-23(31)20-4-3-5-22(28-20)29-24(33)18-12-16(6-7-19(18)25)13-21(32)17-8-10-26-11-9-17/h3-12,14-15H,13H2,1-2H3,(H,28,29,33).
What are the key properties of 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 444.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-oxo-2-pyridin-4-ylethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 158699495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).