6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C23H16F3N7O2 — CID 24890487

IUPAC6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C23H16F3N7O2/c1-13-19(17-8-9-30-33(17)18-7-6-14(11-27)12-29-18)31-20(21(34)28-2)22(35)32(13)16-5-3-4-15(10-16)23(24,25)26/h3-10,12H,1-2H3,(H,28,34)
InChIKeySGUPMZFLRHPHQI-UHFFFAOYSA-N
MW479.42 g/mol
LogP3.04
Rot. Bonds4

About 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 24890487) has the molecular formula C23H16F3N7O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID24890487
Molecular FormulaC23H16F3N7O2
Molecular Weight479.42 g/mol
Exact Mass479.13
IUPAC Name6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C23H16F3N7O2/c1-13-19(17-8-9-30-33(17)18-7-6-14(11-27)12-29-18)31-20(21(34)28-2)22(35)32(13)16-5-3-4-15(10-16)23(24,25)26/h3-10,12H,1-2H3,(H,28,34)
InChIKeySGUPMZFLRHPHQI-UHFFFAOYSA-N
XLogP3.04
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-ethyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 24890141
6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 66738659
3-[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-3-oxopropanoic acid
CID 174669927
5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 58218044
4-[5-[3-ethyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrazol-1-yl]benzonitrile
CID 150418606
2-[5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propanoic acid
CID 90197068
ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate
CID 121393702
5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[[5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 118612300
5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide acetate
CID 67092689
5-cyano-N-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 23320436
4-[5-[4-methyl-1-[(2R)-1-methylsulfanylpropan-2-yl]-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]benzonitrile
CID 71251419
5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11847720

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 24890487) is 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is SGUPMZFLRHPHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N7O2/c1-13-19(17-8-9-30-33(17)18-7-6-14(11-27)12-29-18)31-20(21(34)28-2)22(35)32(13)16-5-3-4-15(10-16)23(24,25)26/h3-10,12H,1-2H3,(H,28,34).
What are the key properties of 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24890487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).