3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C20H20N6O — CID 155548251

IUPAC3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C20H20N6O/c1-11(2)26-20-17(19(21)22-10-23-20)18(25-26)13-3-7-15-12(9-13)4-8-16(24-15)27-14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H2,21,22,23)
InChIKeyFCJGPRGQFLTRFM-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.75
Rot. Bonds4

About 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 155548251) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID155548251
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C20H20N6O/c1-11(2)26-20-17(19(21)22-10-23-20)18(25-26)13-3-7-15-12(9-13)4-8-16(24-15)27-14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H2,21,22,23)
InChIKeyFCJGPRGQFLTRFM-UHFFFAOYSA-N
XLogP3.75
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-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-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 155548251) is 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FCJGPRGQFLTRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11(2)26-20-17(19(21)22-10-23-20)18(25-26)13-3-7-15-12(9-13)4-8-16(24-15)27-14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H2,21,22,23).
What are the key properties of 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyloxyquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155548251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).