1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C24H25ClN6O2S — CID 42671902

IUPAC1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2cnn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C24H25ClN6O2S/c1-3-22-27-23(19-16-26-31(24(19)28-22)21-7-5-4-6-20(21)25)29-12-14-30(15-13-29)34(32,33)18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3
InChIKeyGJPFTCQRLULPNJ-UHFFFAOYSA-N
MW497.02 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 42671902) has the molecular formula C24H25ClN6O2S and a molecular weight of 497.02 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID42671902
Molecular FormulaC24H25ClN6O2S
Molecular Weight497.02 g/mol
Exact Mass496.14
IUPAC Name1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2cnn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C24H25ClN6O2S/c1-3-22-27-23(19-16-26-31(24(19)28-22)21-7-5-4-6-20(21)25)29-12-14-30(15-13-29)34(32,33)18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3
InChIKeyGJPFTCQRLULPNJ-UHFFFAOYSA-N
XLogP3.85
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.02
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-chlorophenyl)-6-cyclopropylpyrazolo[5,4-d]pyrimidine
CID 42672036
6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 42671904
ethyl 1-[1-(2-chlorophenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 42671372
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-6-[(2R)-pentan-2-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 93126780
4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 42670657
[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 42671831
1-[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42673909
(2-chlorophenyl)-[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 83282746
[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42673911
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine
CID 42821292
1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113076386

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 42671902) is 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine is CCc1nc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2cnn(-c3ccccc3Cl)c2n1.
What is the InChIKey of 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is GJPFTCQRLULPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2S/c1-3-22-27-23(19-16-26-31(24(19)28-22)21-7-5-4-6-20(21)25)29-12-14-30(15-13-29)34(32,33)18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 497.02 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42671902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).