3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H23N7O — CID 139331076

IUPAC3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=Cc1cc(-c2nn(C(C)C)c3ncnc(N)c23)n(C2CCCCO2)n1
InChIInChI=1S/C18H23N7O/c1-4-12-9-13(25(22-12)14-7-5-6-8-26-14)16-15-17(19)20-10-21-18(15)24(23-16)11(2)3/h4,9-11,14H,1,5-8H2,2-3H3,(H2,19,20,21)
InChIKeyDAWYEFIQHLHWEA-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.19
Rot. Bonds4

About 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139331076) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139331076
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=Cc1cc(-c2nn(C(C)C)c3ncnc(N)c23)n(C2CCCCO2)n1
InChIInChI=1S/C18H23N7O/c1-4-12-9-13(25(22-12)14-7-5-6-8-26-14)16-15-17(19)20-10-21-18(15)24(23-16)11(2)3/h4,9-11,14H,1,5-8H2,2-3H3,(H2,19,20,21)
InChIKeyDAWYEFIQHLHWEA-UHFFFAOYSA-N
XLogP3.19
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331005
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
CID 139341893
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331397
3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175850012
3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139336336
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386252
6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
CID 24905229
3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905337

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 139331076) is 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is C=Cc1cc(-c2nn(C(C)C)c3ncnc(N)c23)n(C2CCCCO2)n1.
What is the InChIKey of 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DAWYEFIQHLHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-4-12-9-13(25(22-12)14-7-5-6-8-26-14)16-15-17(19)20-10-21-18(15)24(23-16)11(2)3/h4,9-11,14H,1,5-8H2,2-3H3,(H2,19,20,21).
What are the key properties of 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethenyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139331076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).