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

C16H15F5N4O2S — CID 46890817

IUPAC(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESC[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C2CC2)c2cn[nH]c2C1(F)F
InChIInChI=1S/C16H15F5N4O2S/c1-8-15(17,18)14-11(7-23-24-14)13(9-2-3-9)25(8)28(26,27)10-4-5-12(22-6-10)16(19,20)21/h4-9,13H,2-3H2,1H3,(H,23,24)/t8-,13+/m0/s1
InChIKeyOTQRYXBWHHIALY-ISVAXAHUSA-N
MW422.38 g/mol
LogP3.46
Rot. Bonds3

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

(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (PubChem CID 46890817) has the molecular formula C16H15F5N4O2S and a molecular weight of 422.38 g/mol. Its IUPAC name is (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
PubChem CID46890817
Molecular FormulaC16H15F5N4O2S
Molecular Weight422.38 g/mol
Exact Mass422.08
IUPAC Name(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
SMILESC[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C2CC2)c2cn[nH]c2C1(F)F
InChIInChI=1S/C16H15F5N4O2S/c1-8-15(17,18)14-11(7-23-24-14)13(9-2-3-9)25(8)28(26,27)10-4-5-12(22-6-10)16(19,20)21/h4-9,13H,2-3H2,1H3,(H,23,24)/t8-,13+/m0/s1
InChIKeyOTQRYXBWHHIALY-ISVAXAHUSA-N
XLogP3.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Elnd-007
CID 46912223
(4R)-4-Cyclopropyl-8-fluoro-4,5-dihydro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1H-pyrazolo[4,3-c]quinoline
CID 45101437
6-Tert-butyl-4-cyclopropyl-5-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-5,6-dihydro-1H-pyrazolo[4,3-C]pyridin-7(4H)-one (structural mix)
CID 46890760
(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890816
(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
(4S,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890881
(4S,6S)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890882
(4R,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890883
4'-Cyclopropyl-7',7'-difluoro-5'-(6-(trifluoromethyl)pyridin-3-ylsulfonyl)-1',4',5',7'-tetrahydro spiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridine] (enantiomeric mix)
CID 46891052
(4R,6S)-4-cyclopropyl-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891576
4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891577
(4R,6S)-4,6-diethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891578

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine (CID 46890817) is (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is C[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C2CC2)c2cn[nH]c2C1(F)F.
What is the InChIKey of (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
The InChIKey is OTQRYXBWHHIALY-ISVAXAHUSA-N. The full InChI is InChI=1S/C16H15F5N4O2S/c1-8-15(17,18)14-11(7-23-24-14)13(9-2-3-9)25(8)28(26,27)10-4-5-12(22-6-10)16(19,20)21/h4-9,13H,2-3H2,1H3,(H,23,24)/t8-,13+/m0/s1.
What are the key properties of (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine?
(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine has a molecular weight of 422.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 46890817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).