(4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine

C16H17F5N4O2S — CID 46890819

IUPAC(4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESCC[C@@H]1c2cn[nH]c2C(F)(F)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H17F5N4O2S/c1-3-11-10-8-23-24-14(10)15(17,18)13(4-2)25(11)28(26,27)9-5-6-12(22-7-9)16(19,20)21/h5-8,11,13H,3-4H2,1-2H3,(H,23,24)/t11-,13+/m1/s1
InChIKeyVGJQVTNXCJEIGB-YPMHNXCESA-N
MW424.40 g/mol
LogP3.85
Rot. Bonds4

About (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine

(4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (PubChem CID 46890819) has the molecular formula C16H17F5N4O2S and a molecular weight of 424.40 g/mol. Its IUPAC name is (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
PubChem CID46890819
Molecular FormulaC16H17F5N4O2S
Molecular Weight424.40 g/mol
Exact Mass424.10
IUPAC Name(4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESCC[C@@H]1c2cn[nH]c2C(F)(F)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H17F5N4O2S/c1-3-11-10-8-23-24-14(10)15(17,18)13(4-2)25(11)28(26,27)9-5-6-12(22-7-9)16(19,20)21/h5-8,11,13H,3-4H2,1-2H3,(H,23,24)/t11-,13+/m1/s1
InChIKeyVGJQVTNXCJEIGB-YPMHNXCESA-N
XLogP3.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (CID 46890819) is (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is CC[C@@H]1c2cn[nH]c2C(F)(F)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is VGJQVTNXCJEIGB-YPMHNXCESA-N. The full InChI is InChI=1S/C16H17F5N4O2S/c1-3-11-10-8-23-24-14(10)15(17,18)13(4-2)25(11)28(26,27)9-5-6-12(22-7-9)16(19,20)21/h5-8,11,13H,3-4H2,1-2H3,(H,23,24)/t11-,13+/m1/s1.
What are the key properties of (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
(4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 424.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 46890819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).