N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide

C23H16FN5O2 — CID 135355068

IUPACN-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCn1cc(-c2cnn(-c3ccccc3C(=O)NC#N)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C23H16FN5O2/c1-28-13-20(19(10-22(28)30)15-6-8-17(24)9-7-15)16-11-27-29(12-16)21-5-3-2-4-18(21)23(31)26-14-25/h2-13H,1H3,(H,26,31)
InChIKeyRZGXGMYKZHEHJD-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.25
Rot. Bonds4

About N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide

N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide (PubChem CID 135355068) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
PubChem CID135355068
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC NameN-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide
SMILESCn1cc(-c2cnn(-c3ccccc3C(=O)NC#N)c2)c(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C23H16FN5O2/c1-28-13-20(19(10-22(28)30)15-6-8-17(24)9-7-15)16-11-27-29(12-16)21-5-3-2-4-18(21)23(31)26-14-25/h2-13H,1H3,(H,26,31)
InChIKeyRZGXGMYKZHEHJD-UHFFFAOYSA-N
XLogP3.25
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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Csf1R-IN-1
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3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
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N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 139030332
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrazolo[4,3-c]quinolin-3-one
CID 118724611
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The IUPAC name of N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide (CID 135355068) is N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The canonical SMILES for N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide is Cn1cc(-c2cnn(-c3ccccc3C(=O)NC#N)c2)c(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
The InChIKey is RZGXGMYKZHEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c1-28-13-20(19(10-22(28)30)15-6-8-17(24)9-7-15)16-11-27-29(12-16)21-5-3-2-4-18(21)23(31)26-14-25/h2-13H,1H3,(H,26,31).
What are the key properties of N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide?
N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide has a molecular weight of 413.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 135355068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).