N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide

C15H22N6O — CID 56914641

IUPACN-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C15H22N6O/c1-10(22)16-7-8-17-14-12-9-18-21(2)15(12)20-13(19-14)11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,16,22)(H,17,19,20)
InChIKeyQLQZIBLKDRUKIX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.57
Rot. Bonds5

About N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 56914641) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID56914641
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C15H22N6O/c1-10(22)16-7-8-17-14-12-9-18-21(2)15(12)20-13(19-14)11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,16,22)(H,17,19,20)
InChIKeyQLQZIBLKDRUKIX-UHFFFAOYSA-N
XLogP1.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide (CID 56914641) is N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is QLQZIBLKDRUKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(22)16-7-8-17-14-12-9-18-21(2)15(12)20-13(19-14)11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,16,22)(H,17,19,20).
What are the key properties of N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 56914641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).