6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one

C16H14F3N3O — CID 135623501

IUPAC6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCc1cc(=O)c2c(C)nn(-c3ccccc3C(F)(F)F)c2[nH]1
InChIInChI=1S/C16H14F3N3O/c1-3-10-8-13(23)14-9(2)21-22(15(14)20-10)12-7-5-4-6-11(12)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,23)
InChIKeyBBXVVQZOTOWZNP-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.60
Rot. Bonds2

About 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one

6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135623501) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135623501
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCc1cc(=O)c2c(C)nn(-c3ccccc3C(F)(F)F)c2[nH]1
InChIInChI=1S/C16H14F3N3O/c1-3-10-8-13(23)14-9(2)21-22(15(14)20-10)12-7-5-4-6-11(12)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,23)
InChIKeyBBXVVQZOTOWZNP-UHFFFAOYSA-N
XLogP3.60
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135623501) is 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one is CCc1cc(=O)c2c(C)nn(-c3ccccc3C(F)(F)F)c2[nH]1.
What is the InChIKey of 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is BBXVVQZOTOWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-3-10-8-13(23)14-9(2)21-22(15(14)20-10)12-7-5-4-6-11(12)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,23).
What are the key properties of 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 321.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-[2-(trifluoromethyl)phenyl]-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135623501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).