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

C15H15N3O5 — CID 135656125

IUPAC4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCOc1c(C2CC(=O)Nc3[nH]ncc32)cc2c(c1OC)OCO2
InChIInChI=1S/C15H15N3O5/c1-20-12-8(3-10-13(14(12)21-2)23-6-22-10)7-4-11(19)17-15-9(7)5-16-18-15/h3,5,7H,4,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyAMEAWJGRZRJMDF-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.63
Rot. Bonds3

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

4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 135656125) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID135656125
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCOc1c(C2CC(=O)Nc3[nH]ncc32)cc2c(c1OC)OCO2
InChIInChI=1S/C15H15N3O5/c1-20-12-8(3-10-13(14(12)21-2)23-6-22-10)7-4-11(19)17-15-9(7)5-16-18-15/h3,5,7H,4,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyAMEAWJGRZRJMDF-UHFFFAOYSA-N
XLogP1.63
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 135656125) is 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is COc1c(C2CC(=O)Nc3[nH]ncc32)cc2c(c1OC)OCO2.
What is the InChIKey of 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AMEAWJGRZRJMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-20-12-8(3-10-13(14(12)21-2)23-6-22-10)7-4-11(19)17-15-9(7)5-16-18-15/h3,5,7H,4,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 317.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135656125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).