6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

C19H21F3N4O3S — CID 46890760

IUPAC6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC(C)(C)C1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H21F3N4O3S/c1-18(2,3)17-16(27)14-12(9-24-25-14)15(10-4-5-10)26(17)30(28,29)11-6-7-13(23-8-11)19(20,21)22/h6-10,15,17H,4-5H2,1-3H3,(H,24,25)
InChIKeyPMTRKYRHVQKGGU-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.58
Rot. Bonds3

About 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one

6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 46890760) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID46890760
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC Name6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESCC(C)(C)C1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H21F3N4O3S/c1-18(2,3)17-16(27)14-12(9-24-25-14)15(10-4-5-10)26(17)30(28,29)11-6-7-13(23-8-11)19(20,21)22/h6-10,15,17H,4-5H2,1-3H3,(H,24,25)
InChIKeyPMTRKYRHVQKGGU-UHFFFAOYSA-N
XLogP3.58
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.58
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
(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-5-[4-(trifluoromethyl)phenyl]sulfonylspiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopentane]-7-one
CID 46890945
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
4-cyclopropyl-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891458
(4R,6S)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891517
4,6-dicyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891518
(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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (CID 46890760) is 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is CC(C)(C)C1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is PMTRKYRHVQKGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c1-18(2,3)17-16(27)14-12(9-24-25-14)15(10-4-5-10)26(17)30(28,29)11-6-7-13(23-8-11)19(20,21)22/h6-10,15,17H,4-5H2,1-3H3,(H,24,25).
What are the key properties of 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 442.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 46890760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).