4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

C19H13F5N4O2S — CID 24865429

IUPAC4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H13F5N4O2S/c20-13-5-11-15(6-14(13)21)28(18(9-1-2-9)12-8-26-27-17(11)12)31(29,30)10-3-4-16(25-7-10)19(22,23)24/h3-9,18H,1-2H2,(H,26,27)
InChIKeyBIQKYXYZSONCLH-UHFFFAOYSA-N
MW456.40 g/mol
LogP4.43
Rot. Bonds3

About 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865429) has the molecular formula C19H13F5N4O2S and a molecular weight of 456.40 g/mol. Its IUPAC name is 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865429
Molecular FormulaC19H13F5N4O2S
Molecular Weight456.40 g/mol
Exact Mass456.07
IUPAC Name4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H13F5N4O2S/c20-13-5-11-15(6-14(13)21)28(18(9-1-2-9)12-8-26-27-17(11)12)31(29,30)10-3-4-16(25-7-10)19(22,23)24/h3-9,18H,1-2H2,(H,26,27)
InChIKeyBIQKYXYZSONCLH-UHFFFAOYSA-N
XLogP4.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865429) is 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is BIQKYXYZSONCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4O2S/c20-13-5-11-15(6-14(13)21)28(18(9-1-2-9)12-8-26-27-17(11)12)31(29,30)10-3-4-16(25-7-10)19(22,23)24/h3-9,18H,1-2H2,(H,26,27).
What are the key properties of 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 456.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7,8-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).