4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]

C17H15F5N4O2S — CID 46891052

About 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]

4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane] (PubChem CID 46891052) has the molecular formula C17H15F5N4O2S and a molecular weight of 434.39 g/mol. Its IUPAC name is 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane].

Molecular Properties

• Compound Name: 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]
• PubChem CID: 46891052
• Molecular Formula: C17H15F5N4O2S
• Molecular Weight: 434.39 g/mol
• Exact Mass: 434.08
• IUPAC Name: 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]
• SMILES: O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C(C2CC2)c2cn[nH]c2C(F)(F)C12CC2
• InChI: InChI=1S/C17H15F5N4O2S/c18-16(19)14-11(8-24-25-14)13(9-1-2-9)26(15(16)5-6-15)29(27,28)10-3-4-12(23-7-10)17(20,21)22/h3-4,7-9,13H,1-2,5-6H2,(H,24,25)
• InChIKey: KRXBKHKDFUKPLA-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.39
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]?

The IUPAC name of 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane] (CID 46891052) is 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane].

What is the SMILES notation for 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]?

The canonical SMILES for 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane] is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1C(C2CC2)c2cn[nH]c2C(F)(F)C12CC2.

What is the InChIKey of 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]?

The InChIKey is KRXBKHKDFUKPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N4O2S/c18-16(19)14-11(8-24-25-14)13(9-1-2-9)26(15(16)5-6-15)29(27,28)10-3-4-12(23-7-10)17(20,21)22/h3-4,7-9,13H,1-2,5-6H2,(H,24,25).

What are the key properties of 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]?

4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane] has a molecular weight of 434.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane] is sourced from PubChem (CID 46891052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).