3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

C18H19N5O2 — CID 155510459

IUPAC3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2c(cc1-c1cnn3ccc(NC4CCNCC4)nc13)OCO2
InChIInChI=1S/C18H19N5O2/c1-2-15-16(25-11-24-15)9-12(1)14-10-20-23-8-5-17(22-18(14)23)21-13-3-6-19-7-4-13/h1-2,5,8-10,13,19H,3-4,6-7,11H2,(H,21,22)
InChIKeyLJVYCFLJCVGSIH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155510459) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155510459
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1cc2c(cc1-c1cnn3ccc(NC4CCNCC4)nc13)OCO2
InChIInChI=1S/C18H19N5O2/c1-2-15-16(25-11-24-15)9-12(1)14-10-20-23-8-5-17(22-18(14)23)21-13-3-6-19-7-4-13/h1-2,5,8-10,13,19H,3-4,6-7,11H2,(H,21,22)
InChIKeyLJVYCFLJCVGSIH-UHFFFAOYSA-N
XLogP2.29
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 155510459) is 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is c1cc2c(cc1-c1cnn3ccc(NC4CCNCC4)nc13)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is LJVYCFLJCVGSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-15-16(25-11-24-15)9-12(1)14-10-20-23-8-5-17(22-18(14)23)21-13-3-6-19-7-4-13/h1-2,5,8-10,13,19H,3-4,6-7,11H2,(H,21,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 337.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155510459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).