5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H20F3N5O4S — CID 75731913

IUPAC5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H20F3N5O4S/c1-31-21(8-9-30-31)15-10-20(22(33)29-12-17-6-7-19(13-28-17)37(2,35)36)23(34)32(14-15)18-5-3-4-16(11-18)24(25,26)27/h3-11,13-14H,12H2,1-2H3,(H,29,33)
InChIKeyBSIRHPGCYXLICK-UHFFFAOYSA-N
MW531.52 g/mol
LogP2.99
Rot. Bonds6

About 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 75731913) has the molecular formula C24H20F3N5O4S and a molecular weight of 531.52 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID75731913
Molecular FormulaC24H20F3N5O4S
Molecular Weight531.52 g/mol
Exact Mass531.12
IUPAC Name5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H20F3N5O4S/c1-31-21(8-9-30-31)15-10-20(22(33)29-12-17-6-7-19(13-28-17)37(2,35)36)23(34)32(14-15)18-5-3-4-16(11-18)24(25,26)27/h3-11,13-14H,12H2,1-2H3,(H,29,33)
InChIKeyBSIRHPGCYXLICK-UHFFFAOYSA-N
XLogP2.99
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 75731913) is 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cn1nccc1-c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BSIRHPGCYXLICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4S/c1-31-21(8-9-30-31)15-10-20(22(33)29-12-17-6-7-19(13-28-17)37(2,35)36)23(34)32(14-15)18-5-3-4-16(11-18)24(25,26)27/h3-11,13-14H,12H2,1-2H3,(H,29,33).
What are the key properties of 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 531.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 75731913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).