7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine

C16H13F3N4O2S — CID 59490773

IUPAC7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)11-2-1-3-12(6-11)26(24,25)23-5-4-13-10(9-23)7-20-15-14(13)8-21-22-15/h1-3,6-8H,4-5,9H2,(H,20,21,22)
InChIKeyCCPUDTGRTBWCQK-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.72
Rot. Bonds2

About 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine

7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine (PubChem CID 59490773) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
PubChem CID59490773
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)11-2-1-3-12(6-11)26(24,25)23-5-4-13-10(9-23)7-20-15-14(13)8-21-22-15/h1-3,6-8H,4-5,9H2,(H,20,21,22)
InChIKeyCCPUDTGRTBWCQK-UHFFFAOYSA-N
XLogP2.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The IUPAC name of 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine (CID 59490773) is 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine.
What is the SMILES notation for 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The canonical SMILES for 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The InChIKey is CCPUDTGRTBWCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)11-2-1-3-12(6-11)26(24,25)23-5-4-13-10(9-23)7-20-15-14(13)8-21-22-15/h1-3,6-8H,4-5,9H2,(H,20,21,22).
What are the key properties of 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine has a molecular weight of 382.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)phenyl]sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine is sourced from PubChem (CID 59490773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).