4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C17H23N9 — CID 46987154

IUPAC4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(N2CCC(n3cc(C4CCCC4)nn3)CC2)c2cn[nH]c2n1
InChIInChI=1S/C17H23N9/c18-17-20-15-13(9-19-23-15)16(21-17)25-7-5-12(6-8-25)26-10-14(22-24-26)11-3-1-2-4-11/h9-12H,1-8H2,(H3,18,19,20,21,23)
InChIKeyAUYOIIJVYPMQLP-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.03
Rot. Bonds3

About 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 46987154) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID46987154
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC Name4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(N2CCC(n3cc(C4CCCC4)nn3)CC2)c2cn[nH]c2n1
InChIInChI=1S/C17H23N9/c18-17-20-15-13(9-19-23-15)16(21-17)25-7-5-12(6-8-25)26-10-14(22-24-26)11-3-1-2-4-11/h9-12H,1-8H2,(H3,18,19,20,21,23)
InChIKeyAUYOIIJVYPMQLP-UHFFFAOYSA-N
XLogP2.03
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 46987154) is 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Nc1nc(N2CCC(n3cc(C4CCCC4)nn3)CC2)c2cn[nH]c2n1.
What is the InChIKey of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is AUYOIIJVYPMQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9/c18-17-20-15-13(9-19-23-15)16(21-17)25-7-5-12(6-8-25)26-10-14(22-24-26)11-3-1-2-4-11/h9-12H,1-8H2,(H3,18,19,20,21,23).
What are the key properties of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 353.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 46987154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).