N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide

C18H21FN4O2S — CID 176509397

IUPACN,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1nn(CC)c2ncccc12
InChIInChI=1S/C18H21FN4O2S/c1-4-22-17-16(7-6-12-20-17)18(21-22)26(24,25)23(5-2)13(3)14-8-10-15(19)11-9-14/h6-13H,4-5H2,1-3H3/t13-/m0/s1
InChIKeyXIFHCBUVTSNDCB-ZDUSSCGKSA-N
MW376.46 g/mol
LogP3.36
Rot. Bonds6

About N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide

N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide (PubChem CID 176509397) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide
PubChem CID176509397
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC NameN,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1nn(CC)c2ncccc12
InChIInChI=1S/C18H21FN4O2S/c1-4-22-17-16(7-6-12-20-17)18(21-22)26(24,25)23(5-2)13(3)14-8-10-15(19)11-9-14/h6-13H,4-5H2,1-3H3/t13-/m0/s1
InChIKeyXIFHCBUVTSNDCB-ZDUSSCGKSA-N
XLogP3.36
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide?
The IUPAC name of N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide (CID 176509397) is N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide.
What is the SMILES notation for N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide?
The canonical SMILES for N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide is CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1nn(CC)c2ncccc12.
What is the InChIKey of N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide?
The InChIKey is XIFHCBUVTSNDCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-4-22-17-16(7-6-12-20-17)18(21-22)26(24,25)23(5-2)13(3)14-8-10-15(19)11-9-14/h6-13H,4-5H2,1-3H3/t13-/m0/s1.
What are the key properties of N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide?
N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[5,4-b]pyridine-3-sulfonamide is sourced from PubChem (CID 176509397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).