1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

C13H10N4O2 — CID 121004245

IUPAC1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESNc1nn(-c2ccc3c(c2)OCO3)c2ncccc12
InChIInChI=1S/C13H10N4O2/c14-12-9-2-1-5-15-13(9)17(16-12)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H2,14,16)
InChIKeyDYALWSLOBACAEC-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.73
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine

1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 121004245) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
PubChem CID121004245
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
SMILESNc1nn(-c2ccc3c(c2)OCO3)c2ncccc12
InChIInChI=1S/C13H10N4O2/c14-12-9-2-1-5-15-13(9)17(16-12)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H2,14,16)
InChIKeyDYALWSLOBACAEC-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
CID 141141769
3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79277003
3-(1,3-benzodioxol-5-yl)-1-(1-hydroxyethyl)imidazo[4,5-b]pyridin-2-one
CID 21329330
1-(1,3-benzodioxol-5-yl)-5-pyridin-2-yltriazole-4-carboxylic acid
CID 53192991
1-(1,3-benzodioxol-5-yl)-4-oxocinnoline-3-carboxylic acid
CID 71821437
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
CID 82133808
5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 97036104
3-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]aniline
CID 82228202
3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine
CID 82370247
1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole
CID 141141771
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
CID 7184752

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine (CID 121004245) is 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is Nc1nn(-c2ccc3c(c2)OCO3)c2ncccc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is DYALWSLOBACAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-12-9-2-1-5-15-13(9)17(16-12)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H2,14,16).
What are the key properties of 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine?
1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 254.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 121004245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).