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

C9H8F3N3O — CID 135783976

IUPAC1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncc2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C9H8F3N3O/c1-2-15-8-5(4-13-15)6(9(10,11)12)3-7(16)14-8/h3-4H,2H2,1H3,(H,14,16)
InChIKeyAQMAXJRGDKDBPV-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.76
Rot. Bonds1

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

1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135783976) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135783976
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncc2c(C(F)(F)F)cc(=O)[nH]c21
InChIInChI=1S/C9H8F3N3O/c1-2-15-8-5(4-13-15)6(9(10,11)12)3-7(16)14-8/h3-4H,2H2,1H3,(H,14,16)
InChIKeyAQMAXJRGDKDBPV-UHFFFAOYSA-N
XLogP1.76
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-methyl-4-(trifluoromethyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135645589
1-ethyl-3-methyl-4-(trifluoromethyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135645589
4-(difluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 137234045
1,3-dimethyl-4-(trifluoromethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135468309
1,3-dimethyl-4-(trifluoromethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135468309
4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 136414196
1,7-Dihydro-4-methyl-1-(2-methylpropyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135600423
4-methyl-1-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135600421
1,7-Dihydro-4-methyl-1-(2-methylpropyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135600423
1-cyclopentyl-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600425
1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135584534
1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135584534

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135783976) is 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is CCn1ncc2c(C(F)(F)F)cc(=O)[nH]c21.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AQMAXJRGDKDBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-2-15-8-5(4-13-15)6(9(10,11)12)3-7(16)14-8/h3-4H,2H2,1H3,(H,14,16).
What are the key properties of 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 231.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135783976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).