3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C23H24N6O2 — CID 122442385

IUPAC3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3nc(OC4CC4)ccc3c1)nn2CC1CCOCC1
InChIInChI=1S/C23H24N6O2/c24-22-20-21(28-29(23(20)26-13-25-22)12-14-7-9-30-10-8-14)16-1-5-18-15(11-16)2-6-19(27-18)31-17-3-4-17/h1-2,5-6,11,13-14,17H,3-4,7-10,12H2,(H2,24,25,26)
InChIKeyNORRNSHOSUHRSH-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.59
Rot. Bonds5

About 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 122442385) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID122442385
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3nc(OC4CC4)ccc3c1)nn2CC1CCOCC1
InChIInChI=1S/C23H24N6O2/c24-22-20-21(28-29(23(20)26-13-25-22)12-14-7-9-30-10-8-14)16-1-5-18-15(11-16)2-6-19(27-18)31-17-3-4-17/h1-2,5-6,11,13-14,17H,3-4,7-10,12H2,(H2,24,25,26)
InChIKeyNORRNSHOSUHRSH-UHFFFAOYSA-N
XLogP3.59
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 122442385) is 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3nc(OC4CC4)ccc3c1)nn2CC1CCOCC1.
What is the InChIKey of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NORRNSHOSUHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-22-20-21(28-29(23(20)26-13-25-22)12-14-7-9-30-10-8-14)16-1-5-18-15(11-16)2-6-19(27-18)31-17-3-4-17/h1-2,5-6,11,13-14,17H,3-4,7-10,12H2,(H2,24,25,26).
What are the key properties of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 416.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyloxyquinolin-6-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122442385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).