N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

C15H17FN4O3S — CID 165419939

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)c1n[nH]c2c1CCNC2
InChIInChI=1S/C15H17FN4O3S/c16-10-1-3-11(4-2-10)24(22,23)8-7-18-15(21)14-12-5-6-17-9-13(12)19-20-14/h1-4,17H,5-9H2,(H,18,21)(H,19,20)
InChIKeyUROVKSMADIDEGG-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.40
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 165419939) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID165419939
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)c1n[nH]c2c1CCNC2
InChIInChI=1S/C15H17FN4O3S/c16-10-1-3-11(4-2-10)24(22,23)8-7-18-15(21)14-12-5-6-17-9-13(12)19-20-14/h1-4,17H,5-9H2,(H,18,21)(H,19,20)
InChIKeyUROVKSMADIDEGG-UHFFFAOYSA-N
XLogP0.40
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585352
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide
CID 74232862
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119074036
N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide
CID 77088465
N-[2-(4-fluorophenyl)sulfonylethyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 99715935
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 72854238
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165424880
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832173
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 144955092
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 165419939) is N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1n[nH]c2c1CCNC2.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is UROVKSMADIDEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c16-10-1-3-11(4-2-10)24(22,23)8-7-18-15(21)14-12-5-6-17-9-13(12)19-20-14/h1-4,17H,5-9H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 165419939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).