3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C20H25N5O2 — CID 123599657

IUPAC3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)n1nc(-c2ccc(OC3CCOC3)cc2)c2c(N)ncnc21
InChIInChI=1S/C20H25N5O2/c1-3-14(4-2)25-20-17(19(21)22-12-23-20)18(24-25)13-5-7-15(8-6-13)27-16-9-10-26-11-16/h5-8,12,14,16H,3-4,9-11H2,1-2H3,(H2,21,22,23)
InChIKeyFXPFEAOWWILHQI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.60
Rot. Bonds6

About 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 123599657) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID123599657
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)n1nc(-c2ccc(OC3CCOC3)cc2)c2c(N)ncnc21
InChIInChI=1S/C20H25N5O2/c1-3-14(4-2)25-20-17(19(21)22-12-23-20)18(24-25)13-5-7-15(8-6-13)27-16-9-10-26-11-16/h5-8,12,14,16H,3-4,9-11H2,1-2H3,(H2,21,22,23)
InChIKeyFXPFEAOWWILHQI-UHFFFAOYSA-N
XLogP3.60
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-(6-ethoxynaphthalen-2-yl)-1-(oxan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155548620
3-(4-benzylphenyl)-1-nonan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 155724782
1-[(2S)-butan-2-yl]-3-[4-[(2E)-penta-2,4-dien-2-yl]oxyphenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171801921
1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
CID 117401972
7-(oxolan-3-yloxy)quinazolin-4-amine
CID 150616160
1-(oxan-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 163405666
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
1-[[4-amino-3-(6-cyclopropyloxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclopentan-1-ol
CID 122442336
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331397

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 123599657) is 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(CC)n1nc(-c2ccc(OC3CCOC3)cc2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FXPFEAOWWILHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-14(4-2)25-20-17(19(21)22-12-23-20)18(24-25)13-5-7-15(8-6-13)27-16-9-10-26-11-16/h5-8,12,14,16H,3-4,9-11H2,1-2H3,(H2,21,22,23).
What are the key properties of 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 367.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxolan-3-yloxy)phenyl]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 123599657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).