4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

C19H14F4N4O2S — CID 24866176

IUPAC4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H14F4N4O2S/c20-12-4-5-15-13(7-12)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)16-6-3-11(8-24-16)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)
InChIKeyVEHFINFYUNHULM-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.29
Rot. Bonds3

About 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24866176) has the molecular formula C19H14F4N4O2S and a molecular weight of 438.41 g/mol. Its IUPAC name is 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24866176
Molecular FormulaC19H14F4N4O2S
Molecular Weight438.41 g/mol
Exact Mass438.08
IUPAC Name4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H14F4N4O2S/c20-12-4-5-15-13(7-12)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)16-6-3-11(8-24-16)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)
InChIKeyVEHFINFYUNHULM-UHFFFAOYSA-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 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24866176) is 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)cn1)N1c2ccc(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is VEHFINFYUNHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2S/c20-12-4-5-15-13(7-12)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)16-6-3-11(8-24-16)19(21,22)23/h3-10,18H,1-2H2,(H,25,26).
What are the key properties of 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-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 4-cyclopropyl-8-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24866176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).