(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C19H14F3N3O2S — CID 71746395

IUPAC(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(F)cc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C19H14F3N3O2S/c20-11-3-5-12(6-4-11)28(26,27)25-17-8-16(22)15(21)7-13(17)18-14(9-23-24-18)19(25)10-1-2-10/h3-10,19H,1-2H2,(H,23,24)/t19-/m1/s1
InChIKeyFCEYYAAYMFUVEU-LJQANCHMSA-N
MW405.40 g/mol
LogP4.15
Rot. Bonds3

About (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 71746395) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID71746395
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC Name(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(F)cc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2[C@H]1C1CC1
InChIInChI=1S/C19H14F3N3O2S/c20-11-3-5-12(6-4-11)28(26,27)25-17-8-16(22)15(21)7-13(17)18-14(9-23-24-18)19(25)10-1-2-10/h3-10,19H,1-2H2,(H,23,24)/t19-/m1/s1
InChIKeyFCEYYAAYMFUVEU-LJQANCHMSA-N
XLogP4.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 71746395) is (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(F)cc1)N1c2cc(F)c(F)cc2-c2[nH]ncc2[C@H]1C1CC1.
What is the InChIKey of (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is FCEYYAAYMFUVEU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-11-3-5-12(6-4-11)28(26,27)25-17-8-16(22)15(21)7-13(17)18-14(9-23-24-18)19(25)10-1-2-10/h3-10,19H,1-2H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 405.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 71746395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).