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

C18H17F5N4O2S — CID 46890880

IUPAC(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H](C2CC2)C(F)(F)c2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C18H17F5N4O2S/c19-17(20)15-12(8-25-26-15)14(9-1-2-9)27(16(17)10-3-4-10)30(28,29)11-5-6-13(24-7-11)18(21,22)23/h5-10,14,16H,1-4H2,(H,25,26)/t14-,16+/m1/s1
InChIKeyNXPQBVTVDAZRRT-ZBFHGGJFSA-N
MW448.42 g/mol
LogP3.85
Rot. Bonds4

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

(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (PubChem CID 46890880) has the molecular formula C18H17F5N4O2S and a molecular weight of 448.42 g/mol. Its IUPAC name is (4R,6S)-4,6-dicyclopropyl-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-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
PubChem CID46890880
Molecular FormulaC18H17F5N4O2S
Molecular Weight448.42 g/mol
Exact Mass448.10
IUPAC Name(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H](C2CC2)C(F)(F)c2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C18H17F5N4O2S/c19-17(20)15-12(8-25-26-15)14(9-1-2-9)27(16(17)10-3-4-10)30(28,29)11-5-6-13(24-7-11)18(21,22)23/h5-10,14,16H,1-4H2,(H,25,26)/t14-,16+/m1/s1
InChIKeyNXPQBVTVDAZRRT-ZBFHGGJFSA-N
XLogP3.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,6S)-4,6-dicyclopropyl-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-dicyclopropyl-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-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (CID 46890880) is (4R,6S)-4,6-dicyclopropyl-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-dicyclopropyl-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-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@@H](C2CC2)C(F)(F)c2[nH]ncc2[C@H]1C1CC1.
What is the InChIKey of (4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is NXPQBVTVDAZRRT-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H17F5N4O2S/c19-17(20)15-12(8-25-26-15)14(9-1-2-9)27(16(17)10-3-4-10)30(28,29)11-5-6-13(24-7-11)18(21,22)23/h5-10,14,16H,1-4H2,(H,25,26)/t14-,16+/m1/s1.
What are the key properties of (4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
(4R,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 448.42 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-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 46890880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).