N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide

C17H24N6O — CID 71223185

IUPACN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCC1
InChIInChI=1S/C17H24N6O/c24-17(13-5-1-2-6-13)21-15-14-11-20-23(16(14)19-12-18-15)10-9-22-7-3-4-8-22/h11-13H,1-10H2,(H,18,19,21,24)
InChIKeyQBJQVDXAPVHVLZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.05
Rot. Bonds5

About N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide

N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide (PubChem CID 71223185) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide
PubChem CID71223185
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCC1
InChIInChI=1S/C17H24N6O/c24-17(13-5-1-2-6-13)21-15-14-11-20-23(16(14)19-12-18-15)10-9-22-7-3-4-8-22/h11-13H,1-10H2,(H,18,19,21,24)
InChIKeyQBJQVDXAPVHVLZ-UHFFFAOYSA-N
XLogP2.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide (CID 71223185) is N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide is O=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCC1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide?
The InChIKey is QBJQVDXAPVHVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-17(13-5-1-2-6-13)21-15-14-11-20-23(16(14)19-12-18-15)10-9-22-7-3-4-8-22/h11-13H,1-10H2,(H,18,19,21,24).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide?
N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 71223185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).