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

C10H10F3N3O — CID 135645589

IUPAC1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C10H10F3N3O/c1-3-16-9-8(5(2)15-16)6(10(11,12)13)4-7(17)14-9/h4H,3H2,1-2H3,(H,14,17)
InChIKeyLLQNZOYJYIZTGR-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.07
Rot. Bonds1

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

1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135645589) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135645589
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C10H10F3N3O/c1-3-16-9-8(5(2)15-16)6(10(11,12)13)4-7(17)14-9/h4H,3H2,1-2H3,(H,14,17)
InChIKeyLLQNZOYJYIZTGR-UHFFFAOYSA-N
XLogP2.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135645589) is 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is CCn1nc(C)c2c(C(F)(F)F)cc(=O)[nH]c21.
What is the InChIKey of 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LLQNZOYJYIZTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-3-16-9-8(5(2)15-16)6(10(11,12)13)4-7(17)14-9/h4H,3H2,1-2H3,(H,14,17).
What are the key properties of 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 245.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135645589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).