4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C24H19F2N5O3S — CID 167311152

IUPAC4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(SC)n(-c4ccc(F)cc4)n3)c(F)c2)ccn1
InChIInChI=1S/C24H19F2N5O3S/c1-27-23(32)20-12-17(9-10-28-20)34-16-7-8-19(18(26)11-16)29-24(33)21-13-22(35-2)31(30-21)15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,32)(H,29,33)
InChIKeyWWSPKSYSVVRBSE-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.67
Rot. Bonds7

About 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 167311152) has the molecular formula C24H19F2N5O3S and a molecular weight of 495.51 g/mol. Its IUPAC name is 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID167311152
Molecular FormulaC24H19F2N5O3S
Molecular Weight495.51 g/mol
Exact Mass495.12
IUPAC Name4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(SC)n(-c4ccc(F)cc4)n3)c(F)c2)ccn1
InChIInChI=1S/C24H19F2N5O3S/c1-27-23(32)20-12-17(9-10-28-20)34-16-7-8-19(18(26)11-16)29-24(33)21-13-22(35-2)31(30-21)15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,32)(H,29,33)
InChIKeyWWSPKSYSVVRBSE-UHFFFAOYSA-N
XLogP4.67
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[4-[[3-tert-butyl-1-(4-sulfamoylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58385379
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
4-[4-[[1-(1,3-benzothiazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 69297638
4-[4-[(4-chloro-3-methylphenyl)carbamothioylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 159662523
4-[3-fluoro-4-[(3-propan-2-yl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;hydrochloride
CID 67251695
4-[3-fluoro-4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10436350
4-[4-[(4-chloro-3-propan-2-ylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155808888
4-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58385310
4-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813764
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide
CID 90939443

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 167311152) is 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(SC)n(-c4ccc(F)cc4)n3)c(F)c2)ccn1.
What is the InChIKey of 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is WWSPKSYSVVRBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3S/c1-27-23(32)20-12-17(9-10-28-20)34-16-7-8-19(18(26)11-16)29-24(33)21-13-22(35-2)31(30-21)15-5-3-14(25)4-6-15/h3-13H,1-2H3,(H,27,32)(H,29,33).
What are the key properties of 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[[1-(4-fluorophenyl)-5-methylsulfanylpyrazole-3-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167311152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).