N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C24H26N6O2S — CID 154836519

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCS(=O)(=O)c1ccc(N2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N6O2S/c1-2-33(31,32)21-10-8-19(9-11-21)29-14-12-18(13-15-29)28-23-22-16-27-30(24(22)26-17-25-23)20-6-4-3-5-7-20/h3-11,16-18H,2,12-15H2,1H3,(H,25,26,28)
InChIKeyIHXHEOTXXRHIQQ-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.69
Rot. Bonds6

About N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 154836519) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID154836519
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCS(=O)(=O)c1ccc(N2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N6O2S/c1-2-33(31,32)21-10-8-19(9-11-21)29-14-12-18(13-15-29)28-23-22-16-27-30(24(22)26-17-25-23)20-6-4-3-5-7-20/h3-11,16-18H,2,12-15H2,1H3,(H,25,26,28)
InChIKeyIHXHEOTXXRHIQQ-UHFFFAOYSA-N
XLogP3.69
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[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-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
tert-butyl N-[4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]carbamate
CID 58664101
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 127441908
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866420
2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine
CID 133405160
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-propan-2-yloxypyrazin-2-amine
CID 133469107
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 60602914
5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406951
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133377862

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 154836519) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CCS(=O)(=O)c1ccc(N2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IHXHEOTXXRHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-2-33(31,32)21-10-8-19(9-11-21)29-14-12-18(13-15-29)28-23-22-16-27-30(24(22)26-17-25-23)20-6-4-3-5-7-20/h3-11,16-18H,2,12-15H2,1H3,(H,25,26,28).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 462.58 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154836519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).