4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one

C17H10F3N5O — CID 176747602

IUPAC4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(-n2nc(-c3ccc(C(F)(F)F)cc3)c3nccnc32)cc[nH]1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)11-3-1-10(2-4-11)14-15-16(23-8-7-22-15)25(24-14)12-5-6-21-13(26)9-12/h1-9H,(H,21,26)
InChIKeyRSWJGJPCMXKRMC-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.19
Rot. Bonds2

About 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one

4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one (PubChem CID 176747602) has the molecular formula C17H10F3N5O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one
PubChem CID176747602
Molecular FormulaC17H10F3N5O
Molecular Weight357.30 g/mol
Exact Mass357.08
IUPAC Name4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(-n2nc(-c3ccc(C(F)(F)F)cc3)c3nccnc32)cc[nH]1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)11-3-1-10(2-4-11)14-15-16(23-8-7-22-15)25(24-14)12-5-6-21-13(26)9-12/h1-9H,(H,21,26)
InChIKeyRSWJGJPCMXKRMC-UHFFFAOYSA-N
XLogP3.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one (CID 176747602) is 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one is O=c1cc(-n2nc(-c3ccc(C(F)(F)F)cc3)c3nccnc32)cc[nH]1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one?
The InChIKey is RSWJGJPCMXKRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O/c18-17(19,20)11-3-1-10(2-4-11)14-15-16(23-8-7-22-15)25(24-14)12-5-6-21-13(26)9-12/h1-9H,(H,21,26).
What are the key properties of 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one?
4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one has a molecular weight of 357.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 176747602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).