(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

C14H13F3N4O3S — CID 46891575

IUPAC(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESC[C@@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H13F3N4O3S/c1-7-10-6-19-20-12(10)13(22)8(2)21(7)25(23,24)9-3-4-11(18-5-9)14(15,16)17/h3-8H,1-2H3,(H,19,20)/t7-,8+/m0/s1
InChIKeyRSEQEACXQZGJOR-JGVFFNPUSA-N
MW374.34 g/mol
LogP2.16
Rot. Bonds2

About (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 46891575) has the molecular formula C14H13F3N4O3S and a molecular weight of 374.34 g/mol. Its IUPAC name is (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID46891575
Molecular FormulaC14H13F3N4O3S
Molecular Weight374.34 g/mol
Exact Mass374.07
IUPAC Name(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESC[C@@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H13F3N4O3S/c1-7-10-6-19-20-12(10)13(22)8(2)21(7)25(23,24)9-3-4-11(18-5-9)14(15,16)17/h3-8H,1-2H3,(H,19,20)/t7-,8+/m0/s1
InChIKeyRSEQEACXQZGJOR-JGVFFNPUSA-N
XLogP2.16
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
(4R,6S)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891579
4,6-dimethyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,3-c]pyridin-7-one
CID 16730727
[(4aR)-6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)pyridin-2-yl]methanone
CID 72549853
4'-Cyclo propyl-5'-(6-(trifluoro methyl)pyridin-3-YL sulfonyl)-4',5'-dihydrospiro[cyclopropane-1,6'-pyrazolo[4,3-C]pyridin]-7'(1'H)-one (enantiomeric mix)
CID 46236733
(4R,6R)-4,6-dicyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46890758
(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
(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

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 46891575) is (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is C[C@@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is RSEQEACXQZGJOR-JGVFFNPUSA-N. The full InChI is InChI=1S/C14H13F3N4O3S/c1-7-10-6-19-20-12(10)13(22)8(2)21(7)25(23,24)9-3-4-11(18-5-9)14(15,16)17/h3-8H,1-2H3,(H,19,20)/t7-,8+/m0/s1.
What are the key properties of (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
(4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 374.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4,6-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 46891575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).