1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

C11H15N3O — CID 137086390

IUPAC1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C(C)(C)C)c2[nH]ccc(=O)c12
InChIInChI=1S/C11H15N3O/c1-7-9-8(15)5-6-12-10(9)14(13-7)11(2,3)4/h5-6H,1-4H3,(H,12,15)
InChIKeyNMEGIVHYUVAYJE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds

About 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one

1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137086390) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137086390
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C(C)(C)C)c2[nH]ccc(=O)c12
InChIInChI=1S/C11H15N3O/c1-7-9-8(15)5-6-12-10(9)14(13-7)11(2,3)4/h5-6H,1-4H3,(H,12,15)
InChIKeyNMEGIVHYUVAYJE-UHFFFAOYSA-N
XLogP1.79
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137086390) is 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(C(C)(C)C)c2[nH]ccc(=O)c12.
What is the InChIKey of 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is NMEGIVHYUVAYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-9-8(15)5-6-12-10(9)14(13-7)11(2,3)4/h5-6H,1-4H3,(H,12,15).
What are the key properties of 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 205.26 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137086390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).