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

C21H15F5N4O3S — CID 46891577

IUPAC4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESO=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1c1cc(F)cc(F)c1
InChIInChI=1S/C21H15F5N4O3S/c22-12-5-11(6-13(23)7-12)19-20(31)17-15(9-28-29-17)18(10-1-2-10)30(19)34(32,33)14-3-4-16(27-8-14)21(24,25)26/h3-10,18-19H,1-2H2,(H,28,29)
InChIKeyLFHYCKJJQVXMBN-UHFFFAOYSA-N
MW498.43 g/mol
LogP4.18
Rot. Bonds4

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

4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one (PubChem CID 46891577) has the molecular formula C21H15F5N4O3S and a molecular weight of 498.43 g/mol. Its IUPAC name is 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
PubChem CID46891577
Molecular FormulaC21H15F5N4O3S
Molecular Weight498.43 g/mol
Exact Mass498.08
IUPAC Name4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
SMILESO=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1c1cc(F)cc(F)c1
InChIInChI=1S/C21H15F5N4O3S/c22-12-5-11(6-13(23)7-12)19-20(31)17-15(9-28-29-17)18(10-1-2-10)30(19)34(32,33)14-3-4-16(27-8-14)21(24,25)26/h3-10,18-19H,1-2H2,(H,28,29)
InChIKeyLFHYCKJJQVXMBN-UHFFFAOYSA-N
XLogP4.18
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 66701452
4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865432
16-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12,13,16-triazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,11(15),13-pentaene
CID 45279603
10-fluoro-15-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaen-7-ol
CID 67309132
(1R)-6-cyclopropyl-16-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-12,13,16-triazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,11(15),13-pentaene
CID 59268859
4-cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
(4R)-4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45101437
4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24866176
(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 25095935
4-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]spiro[1,4-dihydropyrazolo[4,5-c]pyridine-6,1'-cyclopropane]-7-one
CID 46891002
(3aR,7aS)-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 97349788
4-(2-bromo-3-cyclopropylphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]pyridine
CID 71553144

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The IUPAC name of 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) is 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one.
What is the SMILES notation for 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The canonical SMILES for 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1c1cc(F)cc(F)c1.
What is the InChIKey of 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
The InChIKey is LFHYCKJJQVXMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N4O3S/c22-12-5-11(6-13(23)7-12)19-20(31)17-15(9-28-29-17)18(10-1-2-10)30(19)34(32,33)14-3-4-16(27-8-14)21(24,25)26/h3-10,18-19H,1-2H2,(H,28,29).
What are the key properties of 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one?
4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one has a molecular weight of 498.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(3,5-difluorophenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one is sourced from PubChem (CID 46891577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).