N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide

C22H23FN4O3S — CID 53019205

IUPACN-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccc1
InChIInChI=1S/C22H23FN4O3S/c1-16(28)27(17-8-4-3-5-9-17)15-20-18-14-26(13-12-21(18)25(2)24-20)31(29,30)22-11-7-6-10-19(22)23/h3-11H,12-15H2,1-2H3
InChIKeyFZYDHOHXZGLRLJ-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.86
Rot. Bonds5

About N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide

N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (PubChem CID 53019205) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
PubChem CID53019205
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccc1
InChIInChI=1S/C22H23FN4O3S/c1-16(28)27(17-8-4-3-5-9-17)15-20-18-14-26(13-12-21(18)25(2)24-20)31(29,30)22-11-7-6-10-19(22)23/h3-11H,12-15H2,1-2H3
InChIKeyFZYDHOHXZGLRLJ-UHFFFAOYSA-N
XLogP2.86
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 5309115
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9550907
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551544
1,3,5-Trimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-N-[4-(propan-2-YL)phenyl]-1H-pyrazole-4-sulfonamide
CID 16009277
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-[4-(2-fluorophenyl)piperazin-1-YL]propan-1-one
CID 16027727
2-(3,4-dimethyl-5,5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4h)-yl)-N-phenylacetamide
CID 76330798
2-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]methyl]-3H-1,2-benzothiazole 1,1-dioxide
CID 132609278
N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 8901127
US9156811, Ddd71237
CID 17484664
2-(5-(4-(Dimethylamino)phenyl)-3-phenyl-1Hpyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (15)
CID 86766214

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (CID 53019205) is N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide.
What is the SMILES notation for N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide is CC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccc1.
What is the InChIKey of N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The InChIKey is FZYDHOHXZGLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-16(28)27(17-8-4-3-5-9-17)15-20-18-14-26(13-12-21(18)25(2)24-20)31(29,30)22-11-7-6-10-19(22)23/h3-11H,12-15H2,1-2H3.
What are the key properties of N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide has a molecular weight of 442.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide is sourced from PubChem (CID 53019205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).