3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine

C18H11F4N5 — CID 134611935

IUPAC3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine
SMILESFc1ccc(C(F)(F)F)cc1-c1nn(Cc2cnccn2)c2cccnc12
InChIInChI=1S/C18H11F4N5/c19-14-4-3-11(18(20,21)22)8-13(14)16-17-15(2-1-5-25-17)27(26-16)10-12-9-23-6-7-24-12/h1-9H,10H2
InChIKeyAJULMTHICJTYGO-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.09
Rot. Bonds3

About 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine

3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134611935) has the molecular formula C18H11F4N5 and a molecular weight of 373.31 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine
PubChem CID134611935
Molecular FormulaC18H11F4N5
Molecular Weight373.31 g/mol
Exact Mass373.10
IUPAC Name3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine
SMILESFc1ccc(C(F)(F)F)cc1-c1nn(Cc2cnccn2)c2cccnc12
InChIInChI=1S/C18H11F4N5/c19-14-4-3-11(18(20,21)22)8-13(14)16-17-15(2-1-5-25-17)27(26-16)10-12-9-23-6-7-24-12/h1-9H,10H2
InChIKeyAJULMTHICJTYGO-UHFFFAOYSA-N
XLogP4.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine (CID 134611935) is 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine is Fc1ccc(C(F)(F)F)cc1-c1nn(Cc2cnccn2)c2cccnc12.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is AJULMTHICJTYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5/c19-14-4-3-11(18(20,21)22)8-13(14)16-17-15(2-1-5-25-17)27(26-16)10-12-9-23-6-7-24-12/h1-9H,10H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine?
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 373.31 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134611935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).