N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C22H22ClN5S — CID 118725867

IUPACN-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1
InChIInChI=1S/C22H22ClN5S/c1-3-29-22-26-20(25-18-11-7-10-17(23)12-18)19-13-24-28(21(19)27-22)14-15(2)16-8-5-4-6-9-16/h4-13,15H,3,14H2,1-2H3,(H,25,26,27)
InChIKeyNARPAPOKJAZNIR-UHFFFAOYSA-N
MW423.97 g/mol
LogP6.14
Rot. Bonds7

About N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 118725867) has the molecular formula C22H22ClN5S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID118725867
Molecular FormulaC22H22ClN5S
Molecular Weight423.97 g/mol
Exact Mass423.13
IUPAC NameN-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1
InChIInChI=1S/C22H22ClN5S/c1-3-29-22-26-20(25-18-11-7-10-17(23)12-18)19-13-24-28(21(19)27-22)14-15(2)16-8-5-4-6-9-16/h4-13,15H,3,14H2,1-2H3,(H,25,26,27)
InChIKeyNARPAPOKJAZNIR-UHFFFAOYSA-N
XLogP6.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)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

4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844
3-(4-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327846
1-[(2r)-2-Chloro-2-Phenylethyl]-6-{[2-(Morpholin-4-Yl)ethyl]sulfanyl}-N-Phenyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 90657091
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789
1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10320122
1-(2-chloro-2-phenylethyl)-N-(3-chlorophenethyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 23656074
1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl-N-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine
CID 23656077
1-phenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 611207
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
N-(3-chlorophenyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327839
1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 24971415

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 118725867) is N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1.
What is the InChIKey of N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NARPAPOKJAZNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5S/c1-3-29-22-26-20(25-18-11-7-10-17(23)12-18)19-13-24-28(21(19)27-22)14-15(2)16-8-5-4-6-9-16/h4-13,15H,3,14H2,1-2H3,(H,25,26,27).
What are the key properties of N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 423.97 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-ethylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118725867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).