2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine

C19H20FN3O2S — CID 141302971

IUPAC2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2=C(C1)NN(Cc1ccccc1)C2
InChIInChI=1S/C19H20FN3O2S/c20-17-6-8-18(9-7-17)26(24,25)23-11-10-16-13-22(21-19(16)14-23)12-15-4-2-1-3-5-15/h1-9,21H,10-14H2
InChIKeyMHNXIYFFBBEOIZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.49
Rot. Bonds4

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

2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 141302971) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID141302971
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2=C(C1)NN(Cc1ccccc1)C2
InChIInChI=1S/C19H20FN3O2S/c20-17-6-8-18(9-7-17)26(24,25)23-11-10-16-13-22(21-19(16)14-23)12-15-4-2-1-3-5-15/h1-9,21H,10-14H2
InChIKeyMHNXIYFFBBEOIZ-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine (CID 141302971) is 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine is O=S(=O)(c1ccc(F)cc1)N1CCC2=C(C1)NN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is MHNXIYFFBBEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c20-17-6-8-18(9-7-17)26(24,25)23-11-10-16-13-22(21-19(16)14-23)12-15-4-2-1-3-5-15/h1-9,21H,10-14H2.
What are the key properties of 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine?
2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 373.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-fluorophenyl)sulfonyl-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 141302971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).