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

C21H22N6O — CID 122442340

IUPAC3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C21H22N6O/c1-12(2)10-27-21-18(20(22)23-11-24-21)19(26-27)14-3-7-16-13(9-14)4-8-17(25-16)28-15-5-6-15/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3,(H2,22,23,24)
InChIKeyYFOMBMYHORFLHB-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.82
Rot. Bonds5

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

3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 122442340) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID122442340
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C21H22N6O/c1-12(2)10-27-21-18(20(22)23-11-24-21)19(26-27)14-3-7-16-13(9-14)4-8-17(25-16)28-15-5-6-15/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3,(H2,22,23,24)
InChIKeyYFOMBMYHORFLHB-UHFFFAOYSA-N
XLogP3.82
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 122442340) is 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YFOMBMYHORFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12(2)10-27-21-18(20(22)23-11-24-21)19(26-27)14-3-7-16-13(9-14)4-8-17(25-16)28-15-5-6-15/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3,(H2,22,23,24).
What are the key properties of 3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-cyclopropyloxyquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 374.45 g/mol, XLogP of 3.82, 5 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-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122442340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).