1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C23H23ClN6O3S — CID 108784414

IUPAC1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H23ClN6O3S/c1-16-6-7-20(33-2)21(12-16)34(31,32)29-10-8-28(9-11-29)22-19-14-27-30(23(19)26-15-25-22)18-5-3-4-17(24)13-18/h3-7,12-15H,8-11H2,1-2H3
InChIKeyALYHEGPHMKQQKJ-UHFFFAOYSA-N
MW499.00 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 108784414) has the molecular formula C23H23ClN6O3S and a molecular weight of 499.00 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID108784414
Molecular FormulaC23H23ClN6O3S
Molecular Weight499.00 g/mol
Exact Mass498.12
IUPAC Name1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H23ClN6O3S/c1-16-6-7-20(33-2)21(12-16)34(31,32)29-10-8-28(9-11-29)22-19-14-27-30(23(19)26-15-25-22)18-5-3-4-17(24)13-18/h3-7,12-15H,8-11H2,1-2H3
InChIKeyALYHEGPHMKQQKJ-UHFFFAOYSA-N
XLogP3.30
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.00
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidine
CID 108784407
1-(3-chlorophenyl)-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 108784404
2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 108776977
4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 72547760
3-(4-chlorophenyl)-7-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]triazolo[4,5-d]pyrimidine
CID 41245629
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(3-chlorophenyl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 41106071
[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108749460
4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341906
1-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017541
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 108784414) is 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine is COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is ALYHEGPHMKQQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S/c1-16-6-7-20(33-2)21(12-16)34(31,32)29-10-8-28(9-11-29)22-19-14-27-30(23(19)26-15-25-22)18-5-3-4-17(24)13-18/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 499.00 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 108784414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).