2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol

C17H14F4N4O2 — CID 163234310

IUPAC2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol
SMILESOc1cc(-n2ncc3cc(N4CCOCC4)ncc32)cc(C(F)(F)F)c1F
InChIInChI=1S/C17H14F4N4O2/c18-16-12(17(19,20)21)6-11(7-14(16)26)25-13-9-22-15(5-10(13)8-23-25)24-1-3-27-4-2-24/h5-9,26H,1-4H2
InChIKeyZDVBJMIVTLXVMW-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.12
Rot. Bonds2

About 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol

2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol (PubChem CID 163234310) has the molecular formula C17H14F4N4O2 and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol
PubChem CID163234310
Molecular FormulaC17H14F4N4O2
Molecular Weight382.32 g/mol
Exact Mass382.11
IUPAC Name2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol
SMILESOc1cc(-n2ncc3cc(N4CCOCC4)ncc32)cc(C(F)(F)F)c1F
InChIInChI=1S/C17H14F4N4O2/c18-16-12(17(19,20)21)6-11(7-14(16)26)25-13-9-22-15(5-10(13)8-23-25)24-1-3-27-4-2-24/h5-9,26H,1-4H2
InChIKeyZDVBJMIVTLXVMW-UHFFFAOYSA-N
XLogP3.12
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol?
The IUPAC name of 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol (CID 163234310) is 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol is Oc1cc(-n2ncc3cc(N4CCOCC4)ncc32)cc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol?
The InChIKey is ZDVBJMIVTLXVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2/c18-16-12(17(19,20)21)6-11(7-14(16)26)25-13-9-22-15(5-10(13)8-23-25)24-1-3-27-4-2-24/h5-9,26H,1-4H2.
What are the key properties of 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol?
2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol has a molecular weight of 382.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-morpholin-4-ylpyrazolo[3,4-c]pyridin-1-yl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 163234310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).