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

C23H23ClN6O2S — CID 42671899

IUPAC4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C23H23ClN6O2S/c1-2-21-26-22(20-16-25-30(23(20)27-21)18-6-4-3-5-7-18)28-12-14-29(15-13-28)33(31,32)19-10-8-17(24)9-11-19/h3-11,16H,2,12-15H2,1H3
InChIKeyZRALHPAMYHVDGN-UHFFFAOYSA-N
MW483.00 g/mol
LogP3.54
Rot. Bonds5

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

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 42671899) has the molecular formula C23H23ClN6O2S and a molecular weight of 483.00 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID42671899
Molecular FormulaC23H23ClN6O2S
Molecular Weight483.00 g/mol
Exact Mass482.13
IUPAC Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C23H23ClN6O2S/c1-2-21-26-22(20-16-25-30(23(20)27-21)18-6-4-3-5-7-18)28-12-14-29(15-13-28)33(31,32)19-10-8-17(24)9-11-19/h3-11,16H,2,12-15H2,1H3
InChIKeyZRALHPAMYHVDGN-UHFFFAOYSA-N
XLogP3.54
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-({5-[(4-aminocyclohexyl)amino]-3-chloropyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645567
N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461669
N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 26745607
N-(5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridin-3-yl)-4-chlorobenzenesulfonamide
CID 42623385
N-(5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125256
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(4-chlorophenyl)pyridine-3-sulfonamide
CID 56932209
N-(3-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456544
4-[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 650008
1-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine
CID 892432
1-(4-chlorophenyl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 3466540
1-(3-Chlorophenyl)-4-piperidylpyrazolo[5,4-d]pyrimidine
CID 16033965

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine (CID 42671899) is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine is CCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZRALHPAMYHVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2S/c1-2-21-26-22(20-16-25-30(23(20)27-21)18-6-4-3-5-7-18)28-12-14-29(15-13-28)33(31,32)19-10-8-17(24)9-11-19/h3-11,16H,2,12-15H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 483.00 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42671899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).