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

C22H23FN4O3S — CID 53019203

IUPACN-[[5-(3-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)c1cccc(F)c1)CC2)c1ccccc1
InChIInChI=1S/C22H23FN4O3S/c1-16(28)27(18-8-4-3-5-9-18)15-21-20-14-26(12-11-22(20)25(2)24-21)31(29,30)19-10-6-7-17(23)13-19/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyJFEPDMDXTUYURS-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.86
Rot. Bonds5

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

N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (PubChem CID 53019203) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
PubChem CID53019203
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-[[5-(3-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)c1cccc(F)c1)CC2)c1ccccc1
InChIInChI=1S/C22H23FN4O3S/c1-16(28)27(18-8-4-3-5-9-18)15-21-20-14-26(12-11-22(20)25(2)24-21)31(29,30)19-10-6-7-17(23)13-19/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyJFEPDMDXTUYURS-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

CID 86766211
CID 86766211
CID 86766215
CID 86766215
CID 5309115
CID 5309115
CID 9550907
CID 9550907
CID 9551544
CID 9551544
CID 16009277
CID 16009277
CID 16027727
CID 16027727
CID 76330798
CID 76330798
CID 132609278
CID 132609278
CID 8901127
CID 8901127
CID 17484664
CID 17484664
CID 86766214
CID 86766214

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (CID 53019203) is N-[[5-(3-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-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[5-(3-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)c1cccc(F)c1)CC2)c1ccccc1.
What is the InChIKey of N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The InChIKey is JFEPDMDXTUYURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-16(28)27(18-8-4-3-5-9-18)15-21-20-14-26(12-11-22(20)25(2)24-21)31(29,30)19-10-6-7-17(23)13-19/h3-10,13H,11-12,14-15H2,1-2H3.
What are the key properties of N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
N-[[5-(3-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-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide is sourced from PubChem (CID 53019203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).