6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H28N6 — CID 56899071

IUPAC6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCC3CCCCN3)nc(C3CCCC3)nc21
InChIInChI=1S/C18H28N6/c1-24-18-15(12-21-24)17(20-11-9-14-8-4-5-10-19-14)22-16(23-18)13-6-2-3-7-13/h12-14,19H,2-11H2,1H3,(H,20,22,23)
InChIKeyUZFMKFGHQSWEPV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.96
Rot. Bonds5

About 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56899071) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56899071
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCC3CCCCN3)nc(C3CCCC3)nc21
InChIInChI=1S/C18H28N6/c1-24-18-15(12-21-24)17(20-11-9-14-8-4-5-10-19-14)22-16(23-18)13-6-2-3-7-13/h12-14,19H,2-11H2,1H3,(H,20,22,23)
InChIKeyUZFMKFGHQSWEPV-UHFFFAOYSA-N
XLogP2.96
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 56899071) is 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCC3CCCCN3)nc(C3CCCC3)nc21.
What is the InChIKey of 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UZFMKFGHQSWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-24-18-15(12-21-24)17(20-11-9-14-8-4-5-10-19-14)22-16(23-18)13-6-2-3-7-13/h12-14,19H,2-11H2,1H3,(H,20,22,23).
What are the key properties of 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56899071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).