3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

C10H14N4O — CID 176753438

IUPAC3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCN(C)CCc1[nH]nc2[nH]ccc(=O)c12
InChIInChI=1S/C10H14N4O/c1-14(2)6-4-7-9-8(15)3-5-11-10(9)13-12-7/h3,5H,4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyRBZUZQYHBCMOQJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.36
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (PubChem CID 176753438) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
PubChem CID176753438
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCN(C)CCc1[nH]nc2[nH]ccc(=O)c12
InChIInChI=1S/C10H14N4O/c1-14(2)6-4-7-9-8(15)3-5-11-10(9)13-12-7/h3,5H,4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyRBZUZQYHBCMOQJ-UHFFFAOYSA-N
XLogP0.36
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (CID 176753438) is 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is CN(C)CCc1[nH]nc2[nH]ccc(=O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The InChIKey is RBZUZQYHBCMOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14(2)6-4-7-9-8(15)3-5-11-10(9)13-12-7/h3,5H,4,6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one has a molecular weight of 206.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 176753438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).