1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile

C17H24N6O2 — CID 11210117

IUPAC1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile
SMILESCC(C)(C)Cn1nc(OCCN2CCOCC2)c2cnc(C#N)nc21
InChIInChI=1S/C17H24N6O2/c1-17(2,3)12-23-15-13(11-19-14(10-18)20-15)16(21-23)25-9-6-22-4-7-24-8-5-22/h11H,4-9,12H2,1-3H3
InChIKeyLBIMEOKFXJKEGV-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.46
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile

1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile (PubChem CID 11210117) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile
PubChem CID11210117
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile
SMILESCC(C)(C)Cn1nc(OCCN2CCOCC2)c2cnc(C#N)nc21
InChIInChI=1S/C17H24N6O2/c1-17(2,3)12-23-15-13(11-19-14(10-18)20-15)16(21-23)25-9-6-22-4-7-24-8-5-22/h11H,4-9,12H2,1-3H3
InChIKeyLBIMEOKFXJKEGV-UHFFFAOYSA-N
XLogP1.46
TPSA89.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile (CID 11210117) is 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile is CC(C)(C)Cn1nc(OCCN2CCOCC2)c2cnc(C#N)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile?
The InChIKey is LBIMEOKFXJKEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-17(2,3)12-23-15-13(11-19-14(10-18)20-15)16(21-23)25-9-6-22-4-7-24-8-5-22/h11H,4-9,12H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile?
1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(2-morpholin-4-ylethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 11210117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).