3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H15FN4O2S — CID 53185499

IUPAC3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H15FN4O2S/c18-13-5-3-12(4-6-13)17-15-11-22(9-7-16(15)20-21-17)25(23,24)14-2-1-8-19-10-14/h1-6,8,10H,7,9,11H2,(H,20,21)
InChIKeyXLDURJNNALBNBW-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.36
Rot. Bonds3

About 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53185499) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53185499
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H15FN4O2S/c18-13-5-3-12(4-6-13)17-15-11-22(9-7-16(15)20-21-17)25(23,24)14-2-1-8-19-10-14/h1-6,8,10H,7,9,11H2,(H,20,21)
InChIKeyXLDURJNNALBNBW-UHFFFAOYSA-N
XLogP2.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 53185500
5-[5-(3,5-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1,2-oxazole
CID 31053623
3-(3-chlorophenyl)-5-(4-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780212
2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523706
N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
CID 30852918
2-pyridin-3-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3725718
5-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 25278288
3-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780222
5-(4-fluorophenyl)-3-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-one
CID 55626885
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780213
3-(4-chlorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780248

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53185499) is 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is O=S(=O)(c1cccnc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XLDURJNNALBNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-13-5-3-12(4-6-13)17-15-11-22(9-7-16(15)20-21-17)25(23,24)14-2-1-8-19-10-14/h1-6,8,10H,7,9,11H2,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 358.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53185499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).