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

C15H20N6O — CID 71223275

IUPACN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CC1
InChIInChI=1S/C15H20N6O/c22-15(11-3-4-11)19-13-12-9-18-21(14(12)17-10-16-13)8-7-20-5-1-2-6-20/h9-11H,1-8H2,(H,16,17,19,22)
InChIKeyIRZIVDWWNGIRPS-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.27
Rot. Bonds5

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

N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 71223275) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID71223275
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CC1
InChIInChI=1S/C15H20N6O/c22-15(11-3-4-11)19-13-12-9-18-21(14(12)17-10-16-13)8-7-20-5-1-2-6-20/h9-11H,1-8H2,(H,16,17,19,22)
InChIKeyIRZIVDWWNGIRPS-UHFFFAOYSA-N
XLogP1.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide 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 N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide (CID 71223275) is N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide is O=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CC1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is IRZIVDWWNGIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-15(11-3-4-11)19-13-12-9-18-21(14(12)17-10-16-13)8-7-20-5-1-2-6-20/h9-11H,1-8H2,(H,16,17,19,22).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.27, 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]cyclopropanecarboxamide is sourced from PubChem (CID 71223275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).