4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C19H16N4O3 — CID 169421680

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc3c(c2)OCCO3)c2c(n[nH]c2-c2ccccn2)N1
InChIInChI=1S/C19H16N4O3/c24-16-10-12(11-4-5-14-15(9-11)26-8-7-25-14)17-18(22-23-19(17)21-16)13-3-1-2-6-20-13/h1-6,9,12H,7-8,10H2,(H2,21,22,23,24)
InChIKeyLDEGPZAQFRFBOP-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.72
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 169421680) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID169421680
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc3c(c2)OCCO3)c2c(n[nH]c2-c2ccccn2)N1
InChIInChI=1S/C19H16N4O3/c24-16-10-12(11-4-5-14-15(9-11)26-8-7-25-14)17-18(22-23-19(17)21-16)13-3-1-2-6-20-13/h1-6,9,12H,7-8,10H2,(H2,21,22,23,24)
InChIKeyLDEGPZAQFRFBOP-UHFFFAOYSA-N
XLogP2.72
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 169421680) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1CC(c2ccc3c(c2)OCCO3)c2c(n[nH]c2-c2ccccn2)N1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is LDEGPZAQFRFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-16-10-12(11-4-5-14-15(9-11)26-8-7-25-14)17-18(22-23-19(17)21-16)13-3-1-2-6-20-13/h1-6,9,12H,7-8,10H2,(H2,21,22,23,24).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 348.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169421680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).