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

C18H26N6O — CID 71222995

IUPACN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C18H26N6O/c25-18(14-6-2-1-3-7-14)22-16-15-12-21-24(17(15)20-13-19-16)11-10-23-8-4-5-9-23/h12-14H,1-11H2,(H,19,20,22,25)
InChIKeyBVKRUWAKCUNBRP-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.44
Rot. Bonds5

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

N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide (PubChem CID 71222995) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide
PubChem CID71222995
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C18H26N6O/c25-18(14-6-2-1-3-7-14)22-16-15-12-21-24(17(15)20-13-19-16)11-10-23-8-4-5-9-23/h12-14H,1-11H2,(H,19,20,22,25)
InChIKeyBVKRUWAKCUNBRP-UHFFFAOYSA-N
XLogP2.44
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222985
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223000
N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 71223095
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4,4-difluorocyclohexanecarbox-amide maleate
CID 71223100
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223185
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,3,3-tetramethylcyclopropane-carboxamide citrate
CID 71223204
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71223208
N-(1-[2-(Piperidin-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-adamantylcarboxamide maleate
CID 71223247
N-(1-(2-(Piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223252
N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl) 1-adamantylcarboxamide hydrochloride
CID 71223267
N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclobutanecarboxamide
CID 71223393
N-(1-(3-(azepan-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223397

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide (CID 71222995) is N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide is O=C(Nc1ncnc2c1cnn2CCN1CCCC1)C1CCCCC1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
The InChIKey is BVKRUWAKCUNBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c25-18(14-6-2-1-3-7-14)22-16-15-12-21-24(17(15)20-13-19-16)11-10-23-8-4-5-9-23/h12-14H,1-11H2,(H,19,20,22,25).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.44, 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]cyclohexanecarboxamide is sourced from PubChem (CID 71222995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).