2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one

C9H11N3O — CID 135646623

IUPAC2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2nn(C)c(C)c12
InChIInChI=1S/C9H11N3O/c1-5-4-7(13)10-9-8(5)6(2)12(3)11-9/h4H,1-3H3,(H,10,11,13)
InChIKeyRFSFPDSKERYIMM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.88
Rot. Bonds

About 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one

2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 135646623) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID135646623
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2nn(C)c(C)c12
InChIInChI=1S/C9H11N3O/c1-5-4-7(13)10-9-8(5)6(2)12(3)11-9/h4H,1-3H3,(H,10,11,13)
InChIKeyRFSFPDSKERYIMM-UHFFFAOYSA-N
XLogP0.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one (CID 135646623) is 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2nn(C)c(C)c12.
What is the InChIKey of 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is RFSFPDSKERYIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-4-7(13)10-9-8(5)6(2)12(3)11-9/h4H,1-3H3,(H,10,11,13).
What are the key properties of 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one?
2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 177.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135646623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).