4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C13H11N3O3 — CID 135655958

IUPAC4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc3c(c2)OCO3)c2cn[nH]c2N1
InChIInChI=1S/C13H11N3O3/c17-12-4-8(9-5-14-16-13(9)15-12)7-1-2-10-11(3-7)19-6-18-10/h1-3,5,8H,4,6H2,(H2,14,15,16,17)
InChIKeyHOBODXLZMBWRTP-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.61
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 135655958) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID135655958
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc3c(c2)OCO3)c2cn[nH]c2N1
InChIInChI=1S/C13H11N3O3/c17-12-4-8(9-5-14-16-13(9)15-12)7-1-2-10-11(3-7)19-6-18-10/h1-3,5,8H,4,6H2,(H2,14,15,16,17)
InChIKeyHOBODXLZMBWRTP-UHFFFAOYSA-N
XLogP1.61
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 135655958) is 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2ccc3c(c2)OCO3)c2cn[nH]c2N1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HOBODXLZMBWRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12-4-8(9-5-14-16-13(9)15-12)7-1-2-10-11(3-7)19-6-18-10/h1-3,5,8H,4,6H2,(H2,14,15,16,17).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 257.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135655958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).