4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

C20H14F6N4O3S — CID 24865788

IUPAC4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(OC(F)(F)F)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H14F6N4O3S/c21-19(22,23)16-6-4-12(8-27-16)34(31,32)30-15-7-11(33-20(24,25)26)3-5-13(15)17-14(9-28-29-17)18(30)10-1-2-10/h3-10,18H,1-2H2,(H,28,29)
InChIKeyLHSCVVXIOGLNGL-UHFFFAOYSA-N
MW504.41 g/mol
LogP5.05
Rot. Bonds4

About 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865788) has the molecular formula C20H14F6N4O3S and a molecular weight of 504.41 g/mol. Its IUPAC name is 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865788
Molecular FormulaC20H14F6N4O3S
Molecular Weight504.41 g/mol
Exact Mass504.07
IUPAC Name4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(OC(F)(F)F)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H14F6N4O3S/c21-19(22,23)16-6-4-12(8-27-16)34(31,32)30-15-7-11(33-20(24,25)26)3-5-13(15)17-14(9-28-29-17)18(30)10-1-2-10/h3-10,18H,1-2H2,(H,28,29)
InChIKeyLHSCVVXIOGLNGL-UHFFFAOYSA-N
XLogP5.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865788) is 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(OC(F)(F)F)ccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is LHSCVVXIOGLNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N4O3S/c21-19(22,23)16-6-4-12(8-27-16)34(31,32)30-15-7-11(33-20(24,25)26)3-5-13(15)17-14(9-28-29-17)18(30)10-1-2-10/h3-10,18H,1-2H2,(H,28,29).
What are the key properties of 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 504.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-(trifluoromethoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).