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

C24H29N7O — CID 122442363

IUPAC3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C24H29N7O/c1-24(2,12-30(3)4)13-31-23-20(22(25)26-14-27-23)21(29-31)16-5-9-18-15(11-16)6-10-19(28-18)32-17-7-8-17/h5-6,9-11,14,17H,7-8,12-13H2,1-4H3,(H2,25,26,27)
InChIKeyULEWURLSYSOHEP-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.75
Rot. Bonds7

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

3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 122442363) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID122442363
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C24H29N7O/c1-24(2,12-30(3)4)13-31-23-20(22(25)26-14-27-23)21(29-31)16-5-9-18-15(11-16)6-10-19(28-18)32-17-7-8-17/h5-6,9-11,14,17H,7-8,12-13H2,1-4H3,(H2,25,26,27)
InChIKeyULEWURLSYSOHEP-UHFFFAOYSA-N
XLogP3.75
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.75
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-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 122442363) is 3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine is CN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ULEWURLSYSOHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-24(2,12-30(3)4)13-31-23-20(22(25)26-14-27-23)21(29-31)16-5-9-18-15(11-16)6-10-19(28-18)32-17-7-8-17/h5-6,9-11,14,17H,7-8,12-13H2,1-4H3,(H2,25,26,27).
What are the key properties of 3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-cyclopropyloxyquinolin-6-yl)-1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 431.54 g/mol, XLogP of 3.75, 7 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-[3-(dimethylamino)-2,2-dimethylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122442363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).