6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

C19H15F3N4O3S — CID 16730306

IUPAC6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(c2cccnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N4O3S/c1-11-18(27)16-15(10-24-25-16)17(12-3-2-8-23-9-12)26(11)30(28,29)14-6-4-13(5-7-14)19(20,21)22/h2-11,17H,1H3,(H,24,25)
InChIKeyOSXXSBWDLVDOPD-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.19
Rot. Bonds3

About 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 16730306) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID16730306
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC Name6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC1C(=O)c2[nH]ncc2C(c2cccnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N4O3S/c1-11-18(27)16-15(10-24-25-16)17(12-3-2-8-23-9-12)26(11)30(28,29)14-6-4-13(5-7-14)19(20,21)22/h2-11,17H,1H3,(H,24,25)
InChIKeyOSXXSBWDLVDOPD-UHFFFAOYSA-N
XLogP3.19
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dazucorilant
CID 72192163
[(4aR)-6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72547740
[(4aR)-6-(3,4-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72547975
[(4aR)-6-(3,4-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methyl-2-pyridinyl)methanone
CID 72548214
[(4aR)-6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methyl-2-pyridinyl)methanone
CID 72548216
(R)-(1-(4-fluorophenyl)-6-((4-fluorophenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(pyridin-2-yl)methanone
CID 72548922
[(4aR)-1-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72549624
[(4aR)-1-(4-fluorophenyl)-6-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 89954457
[(4aR)-1-(4-fluorophenyl)-6-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(4-methylpyridin-2-yl)methanone
CID 89955032
4-cyclopropyl-6-(oxan-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46890759
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
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonylspiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopentane]-7-one
CID 46890945

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 16730306) is 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is CC1C(=O)c2[nH]ncc2C(c2cccnc2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is OSXXSBWDLVDOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-11-18(27)16-15(10-24-25-16)17(12-3-2-8-23-9-12)26(11)30(28,29)14-6-4-13(5-7-14)19(20,21)22/h2-11,17H,1H3,(H,24,25).
What are the key properties of 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 436.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 16730306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).