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

C20H14F6N4O2S — CID 24865991

IUPAC4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(C(F)(F)F)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H14F6N4O2S/c21-19(22,23)11-3-5-13-15(7-11)30(18(10-1-2-10)14-9-28-29-17(13)14)33(31,32)12-4-6-16(27-8-12)20(24,25)26/h3-10,18H,1-2H2,(H,28,29)
InChIKeyJESFGDYZQARAGI-UHFFFAOYSA-N
MW488.41 g/mol
LogP5.17
Rot. Bonds3

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

4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865991) has the molecular formula C20H14F6N4O2S and a molecular weight of 488.41 g/mol. Its IUPAC name is 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865991
Molecular FormulaC20H14F6N4O2S
Molecular Weight488.41 g/mol
Exact Mass488.07
IUPAC Name4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(C(F)(F)F)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H14F6N4O2S/c21-19(22,23)11-3-5-13-15(7-11)30(18(10-1-2-10)14-9-28-29-17(13)14)33(31,32)12-4-6-16(27-8-12)20(24,25)26/h3-10,18H,1-2H2,(H,28,29)
InChIKeyJESFGDYZQARAGI-UHFFFAOYSA-N
XLogP5.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865991) is 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(C(F)(F)F)ccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is JESFGDYZQARAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N4O2S/c21-19(22,23)11-3-5-13-15(7-11)30(18(10-1-2-10)14-9-28-29-17(13)14)33(31,32)12-4-6-16(27-8-12)20(24,25)26/h3-10,18H,1-2H2,(H,28,29).
What are the key properties of 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 488.41 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-(trifluoromethyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).