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

C17H22N6 — CID 56901180

IUPAC6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCn3cccc3)nc(C3CCCC3)nc21
InChIInChI=1S/C17H22N6/c1-22-17-14(12-19-22)16(18-8-11-23-9-4-5-10-23)20-15(21-17)13-6-2-3-7-13/h4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,18,20,21)
InChIKeyITKXYNUCAUDISY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds5

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

6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56901180) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56901180
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCn3cccc3)nc(C3CCCC3)nc21
InChIInChI=1S/C17H22N6/c1-22-17-14(12-19-22)16(18-8-11-23-9-4-5-10-23)20-15(21-17)13-6-2-3-7-13/h4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,18,20,21)
InChIKeyITKXYNUCAUDISY-UHFFFAOYSA-N
XLogP2.93
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine 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,N-Dimethyl-N'-[3-(1h-Pyrazol-4-Yl)pyrazolo[1,5-A]pyrimidin-5-Yl]ethane-1,2-Diamine
CID 73354147
N4-[3-[2-[(1-methylpyrazol-3-yl)methylamino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 60202664
N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66549112
(3R)-N-cyclopentyl-N-prop-2-enyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 56849311
(3R)-N-cyclopentyl-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 56849372
N-(1-methylpiperidin-4-yl)-3-(1-pyrimidin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 72375344
N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
CID 73346435
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
1-(1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}azetidin-3-yl)-1H-pyrazole
CID 53567269
3-(1-cyclopentylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73357071
3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73357072
N-(1-ethyl-1H-pyrazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824678

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 56901180) is 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCn3cccc3)nc(C3CCCC3)nc21.
What is the InChIKey of 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ITKXYNUCAUDISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-22-17-14(12-19-22)16(18-8-11-23-9-4-5-10-23)20-15(21-17)13-6-2-3-7-13/h4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,18,20,21).
What are the key properties of 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-methyl-N-(2-pyrrol-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56901180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).