(4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

C19H14F4N4O2S — CID 46912223

IUPAC(4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2ccc(F)cc2-c2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C19H14F4N4O2S/c20-11-3-5-15-13(7-11)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)12-4-6-16(24-8-12)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)/t18-/m1/s1
InChIKeyLBJYPLZODCWHKE-GOSISDBHSA-N
MW438.41 g/mol
LogP4.29
Rot. Bonds3

About (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

(4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 46912223) has the molecular formula C19H14F4N4O2S and a molecular weight of 438.41 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID46912223
Molecular FormulaC19H14F4N4O2S
Molecular Weight438.41 g/mol
Exact Mass438.08
IUPAC Name(4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2ccc(F)cc2-c2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C19H14F4N4O2S/c20-11-3-5-15-13(7-11)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)12-4-6-16(24-8-12)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)/t18-/m1/s1
InChIKeyLBJYPLZODCWHKE-GOSISDBHSA-N
XLogP4.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (CID 46912223) is (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2ccc(F)cc2-c2[nH]ncc2[C@H]1C1CC1.
What is the InChIKey of (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is LBJYPLZODCWHKE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14F4N4O2S/c20-11-3-5-15-13(7-11)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)12-4-6-16(24-8-12)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)/t18-/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
(4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 438.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 46912223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).