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

C19H15F3N4O2S — CID 24865787

IUPAC4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2ccccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)16-8-7-12(9-23-16)29(27,28)26-15-4-2-1-3-13(15)17-14(10-24-25-17)18(26)11-5-6-11/h1-4,7-11,18H,5-6H2,(H,24,25)
InChIKeyDUIJZSWYUXKFJU-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.15
Rot. Bonds3

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

4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865787) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865787
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2ccccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)16-8-7-12(9-23-16)29(27,28)26-15-4-2-1-3-13(15)17-14(10-24-25-17)18(26)11-5-6-11/h1-4,7-11,18H,5-6H2,(H,24,25)
InChIKeyDUIJZSWYUXKFJU-UHFFFAOYSA-N
XLogP4.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865787) is 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1c2ccccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is DUIJZSWYUXKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c20-19(21,22)16-8-7-12(9-23-16)29(27,28)26-15-4-2-1-3-13(15)17-14(10-24-25-17)18(26)11-5-6-11/h1-4,7-11,18H,5-6H2,(H,24,25).
What are the key properties of 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 420.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).