4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine

C19H15F3N4O2S — CID 24865251

IUPAC4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ncccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)12-5-7-13(8-6-12)29(27,28)26-17(11-3-4-11)15-10-24-25-16(15)14-2-1-9-23-18(14)26/h1-2,5-11,17H,3-4H2,(H,24,25)
InChIKeyDCRNJLSTBCJOLV-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.15
Rot. Bonds3

About 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine

4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine (PubChem CID 24865251) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine.

Molecular Properties

Compound Name4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine
PubChem CID24865251
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ncccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C19H15F3N4O2S/c20-19(21,22)12-5-7-13(8-6-12)29(27,28)26-17(11-3-4-11)15-10-24-25-16(15)14-2-1-9-23-18(14)26/h1-2,5-11,17H,3-4H2,(H,24,25)
InChIKeyDCRNJLSTBCJOLV-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-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine?
The IUPAC name of 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine (CID 24865251) is 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine.
What is the SMILES notation for 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine?
The canonical SMILES for 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ncccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine?
The InChIKey is DCRNJLSTBCJOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c20-19(21,22)12-5-7-13(8-6-12)29(27,28)26-17(11-3-4-11)15-10-24-25-16(15)14-2-1-9-23-18(14)26/h1-2,5-11,17H,3-4H2,(H,24,25).
What are the key properties of 4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine?
4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine 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-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c][1,8]naphthyridine is sourced from PubChem (CID 24865251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).