2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol

C19H16F4N4O2 — CID 163234242

IUPAC2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol
SMILESOc1cc(-n2ncc3cc(N4CCOCC45CC5)ncc32)cc(C(F)(F)F)c1F
InChIInChI=1S/C19H16F4N4O2/c20-17-13(19(21,22)23)6-12(7-15(17)28)27-14-9-24-16(5-11(14)8-25-27)26-3-4-29-10-18(26)1-2-18/h5-9,28H,1-4,10H2
InChIKeyBRNJUAMCFLHDPI-UHFFFAOYSA-N
MW408.36 g/mol
LogP3.65
Rot. Bonds2

About 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol

2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol (PubChem CID 163234242) has the molecular formula C19H16F4N4O2 and a molecular weight of 408.36 g/mol. Its IUPAC name is 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol
PubChem CID163234242
Molecular FormulaC19H16F4N4O2
Molecular Weight408.36 g/mol
Exact Mass408.12
IUPAC Name2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol
SMILESOc1cc(-n2ncc3cc(N4CCOCC45CC5)ncc32)cc(C(F)(F)F)c1F
InChIInChI=1S/C19H16F4N4O2/c20-17-13(19(21,22)23)6-12(7-15(17)28)27-14-9-24-16(5-11(14)8-25-27)26-3-4-29-10-18(26)1-2-18/h5-9,28H,1-4,10H2
InChIKeyBRNJUAMCFLHDPI-UHFFFAOYSA-N
XLogP3.65
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol?
The IUPAC name of 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol (CID 163234242) is 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol is Oc1cc(-n2ncc3cc(N4CCOCC45CC5)ncc32)cc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol?
The InChIKey is BRNJUAMCFLHDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2/c20-17-13(19(21,22)23)6-12(7-15(17)28)27-14-9-24-16(5-11(14)8-25-27)26-3-4-29-10-18(26)1-2-18/h5-9,28H,1-4,10H2.
What are the key properties of 2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol?
2-fluoro-5-[5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol has a molecular weight of 408.36 g/mol, XLogP of 3.65, 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-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 163234242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).