1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H16N6O — CID 126592025

IUPAC1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)nn2Cc1ccccc1
InChIInChI=1S/C18H16N6O/c19-17-15-16(13-8-14(25-23-13)12-6-7-12)22-24(18(15)21-10-20-17)9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H2,19,20,21)
InChIKeyOWROSELBAIWMET-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.99
Rot. Bonds4

About 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592025) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592025
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)nn2Cc1ccccc1
InChIInChI=1S/C18H16N6O/c19-17-15-16(13-8-14(25-23-13)12-6-7-12)22-24(18(15)21-10-20-17)9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H2,19,20,21)
InChIKeyOWROSELBAIWMET-UHFFFAOYSA-N
XLogP2.99
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 126592025) is 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc(C3CC3)on1)nn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OWROSELBAIWMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c19-17-15-16(13-8-14(25-23-13)12-6-7-12)22-24(18(15)21-10-20-17)9-11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).