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

C18H24N6O — CID 126591726

IUPAC3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C18H24N6O/c1-2-3-4-5-6-9-24-18-15(17(19)20-11-21-18)16(22-24)13-10-14(25-23-13)12-7-8-12/h10-12H,2-9H2,1H3,(H2,19,20,21)
InChIKeyXZDHDAPDGKNDSA-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.91
Rot. Bonds8

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

3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126591726) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126591726
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C18H24N6O/c1-2-3-4-5-6-9-24-18-15(17(19)20-11-21-18)16(22-24)13-10-14(25-23-13)12-7-8-12/h10-12H,2-9H2,1H3,(H2,19,20,21)
InChIKeyXZDHDAPDGKNDSA-UHFFFAOYSA-N
XLogP3.91
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126591726) is 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCCCn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XZDHDAPDGKNDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-3-4-5-6-9-24-18-15(17(19)20-11-21-18)16(22-24)13-10-14(25-23-13)12-7-8-12/h10-12H,2-9H2,1H3,(H2,19,20,21).
What are the key properties of 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126591726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).