2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione

C6H5N3O2 — CID 67281906

IUPAC2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
SMILESO=c1ccc2[nH][nH]c(=O)c2[nH]1
InChIInChI=1S/C6H5N3O2/c10-4-2-1-3-5(7-4)6(11)9-8-3/h1-2H,(H,7,10)(H2,8,9,11)
InChIKeyQXJHJODRTDMGIJ-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.46
Rot. Bonds

About 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione

2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione (PubChem CID 67281906) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione.

Molecular Properties

Compound Name2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
PubChem CID67281906
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
SMILESO=c1ccc2[nH][nH]c(=O)c2[nH]1
InChIInChI=1S/C6H5N3O2/c10-4-2-1-3-5(7-4)6(11)9-8-3/h1-2H,(H,7,10)(H2,8,9,11)
InChIKeyQXJHJODRTDMGIJ-UHFFFAOYSA-N
XLogP-0.46
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
The IUPAC name of 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione (CID 67281906) is 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione.
What is the SMILES notation for 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
The canonical SMILES for 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione is O=c1ccc2[nH][nH]c(=O)c2[nH]1.
What is the InChIKey of 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
The InChIKey is QXJHJODRTDMGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-4-2-1-3-5(7-4)6(11)9-8-3/h1-2H,(H,7,10)(H2,8,9,11).
What are the key properties of 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione?
2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione has a molecular weight of 151.12 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione is sourced from PubChem (CID 67281906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).