(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone

C17H15F5N4O — CID 24953722

IUPAC(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2CNCC3)cc1)N1CC(F)(F)C1
InChIInChI=1S/C17H15F5N4O/c18-16(19)8-25(9-16)15(27)10-1-3-11(4-2-10)26-13-7-23-6-5-12(13)14(24-26)17(20,21)22/h1-4,23H,5-9H2
InChIKeyVSUJXMFMGOBNII-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.63
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone

(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone (PubChem CID 24953722) has the molecular formula C17H15F5N4O and a molecular weight of 386.32 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone
PubChem CID24953722
Molecular FormulaC17H15F5N4O
Molecular Weight386.32 g/mol
Exact Mass386.12
IUPAC Name(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2CNCC3)cc1)N1CC(F)(F)C1
InChIInChI=1S/C17H15F5N4O/c18-16(19)8-25(9-16)15(27)10-1-3-11(4-2-10)26-13-7-23-6-5-12(13)14(24-26)17(20,21)22/h1-4,23H,5-9H2
InChIKeyVSUJXMFMGOBNII-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone (CID 24953722) is (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone is O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CNCC3)cc1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone?
The InChIKey is VSUJXMFMGOBNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N4O/c18-16(19)8-25(9-16)15(27)10-1-3-11(4-2-10)26-13-7-23-6-5-12(13)14(24-26)17(20,21)22/h1-4,23H,5-9H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone?
(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone has a molecular weight of 386.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]phenyl]methanone is sourced from PubChem (CID 24953722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).