5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C32H24F3N5O4S — CID 24830508

IUPAC5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H24F3N5O4S/c1-20-27(29-14-15-38-40(29)24-10-6-21(18-36)7-11-24)17-28(30(41)37-19-22-8-12-26(13-9-22)45(2,43)44)31(42)39(20)25-5-3-4-23(16-25)32(33,34)35/h3-17H,19H2,1-2H3,(H,37,41)
InChIKeyKIMZBWYHGGXELV-UHFFFAOYSA-N
MW631.64 g/mol
LogP5.22
Rot. Bonds7

About 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 24830508) has the molecular formula C32H24F3N5O4S and a molecular weight of 631.64 g/mol. Its IUPAC name is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID24830508
Molecular FormulaC32H24F3N5O4S
Molecular Weight631.64 g/mol
Exact Mass631.15
IUPAC Name5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H24F3N5O4S/c1-20-27(29-14-15-38-40(29)24-10-6-21(18-36)7-11-24)17-28(30(41)37-19-22-8-12-26(13-9-22)45(2,43)44)31(42)39(20)25-5-3-4-23(16-25)32(33,34)35/h3-17H,19H2,1-2H3,(H,37,41)
InChIKeyKIMZBWYHGGXELV-UHFFFAOYSA-N
XLogP5.22
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.64
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 24830508) is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KIMZBWYHGGXELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N5O4S/c1-20-27(29-14-15-38-40(29)24-10-6-21(18-36)7-11-24)17-28(30(41)37-19-22-8-12-26(13-9-22)45(2,43)44)31(42)39(20)25-5-3-4-23(16-25)32(33,34)35/h3-17H,19H2,1-2H3,(H,37,41).
What are the key properties of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 631.64 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 24830508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).