2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide

C24H18F4N4O3S — CID 118393634

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(S(C)(=O)=O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H18F4N4O3S/c1-32-9-8-20(31-32)16-11-17(19(25)12-18(16)24(26,27)28)23(33)30-21-10-15(36(2,34)35)13-29-22(21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,30,33)
InChIKeyCWHYCJMBXLDXSM-UHFFFAOYSA-N
MW518.49 g/mol
LogP4.96
Rot. Bonds5

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 118393634) has the molecular formula C24H18F4N4O3S and a molecular weight of 518.49 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID118393634
Molecular FormulaC24H18F4N4O3S
Molecular Weight518.49 g/mol
Exact Mass518.10
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(S(C)(=O)=O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H18F4N4O3S/c1-32-9-8-20(31-32)16-11-17(19(25)12-18(16)24(26,27)28)23(33)30-21-10-15(36(2,34)35)13-29-22(21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,30,33)
InChIKeyCWHYCJMBXLDXSM-UHFFFAOYSA-N
XLogP4.96
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278123
1-(4-fluorophenyl)-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridine-4-carboxamide
CID 59278147
1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278305
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
CID 118392439
[2-(3-Fluorophenyl)-5-methylsulfonylphenyl]-[2-(5-fluoro-3-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479034
[2-(3-Fluorophenyl)-5-methylsulfonylphenyl]-[2-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479229
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(5-oxo-2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 91933937
4-[2-amino-5-[1-(difluoromethyl)-5-methylpyrazol-4-yl]pyridin-3-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide
CID 118045964
N-[6-(2-amino-2-oxoethyl)-2-phenylpyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393146
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[6-(2-oxoimidazolidin-4-yl)-2-phenylpyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 118393347
(S)-2-fluoro-N-(6-((2-hydroxypropanamido)methyl)-2-phenylpyridin-3-yl)-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393393

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide (CID 118393634) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc(S(C)(=O)=O)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is CWHYCJMBXLDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O3S/c1-32-9-8-20(31-32)16-11-17(19(25)12-18(16)24(26,27)28)23(33)30-21-10-15(36(2,34)35)13-29-22(21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,30,33).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 518.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).