1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C17H24N6 — CID 133407070

IUPAC1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESC#CCCN1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1
InChIInChI=1S/C17H24N6/c1-5-6-7-21-8-10-22(11-9-21)15-14-12-20-23(17(2,3)4)16(14)19-13-18-15/h1,12-13H,6-11H2,2-4H3
InChIKeyLZUIGMMPYAGEMO-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.73
Rot. Bonds3

About 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 133407070) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID133407070
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESC#CCCN1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1
InChIInChI=1S/C17H24N6/c1-5-6-7-21-8-10-22(11-9-21)15-14-12-20-23(17(2,3)4)16(14)19-13-18-15/h1,12-13H,6-11H2,2-4H3
InChIKeyLZUIGMMPYAGEMO-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 133407070) is 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is C#CCCN1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is LZUIGMMPYAGEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-5-6-7-21-8-10-22(11-9-21)15-14-12-20-23(17(2,3)4)16(14)19-13-18-15/h1,12-13H,6-11H2,2-4H3.
What are the key properties of 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-but-3-ynylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 133407070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).