5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one

C7H7N3O2 — CID 90426501

IUPAC5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one
SMILESCOc1cc(=O)c2[nH]ncc2[nH]1
InChIInChI=1S/C7H7N3O2/c1-12-6-2-5(11)7-4(9-6)3-8-10-7/h2-3H,1H3,(H,8,10)(H,9,11)
InChIKeyXADJRKWYOBRJMK-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.26
Rot. Bonds1

About 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one

5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one (PubChem CID 90426501) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one
PubChem CID90426501
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one
SMILESCOc1cc(=O)c2[nH]ncc2[nH]1
InChIInChI=1S/C7H7N3O2/c1-12-6-2-5(11)7-4(9-6)3-8-10-7/h2-3H,1H3,(H,8,10)(H,9,11)
InChIKeyXADJRKWYOBRJMK-UHFFFAOYSA-N
XLogP0.26
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one?
The IUPAC name of 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one (CID 90426501) is 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one.
What is the SMILES notation for 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one?
The canonical SMILES for 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one is COc1cc(=O)c2[nH]ncc2[nH]1.
What is the InChIKey of 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one?
The InChIKey is XADJRKWYOBRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-6-2-5(11)7-4(9-6)3-8-10-7/h2-3H,1H3,(H,8,10)(H,9,11).
What are the key properties of 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one?
5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one has a molecular weight of 165.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,4-dihydropyrazolo[4,5-b]pyridin-7-one is sourced from PubChem (CID 90426501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).