4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C16H18N6O2S — CID 17458615

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21
InChIInChI=1S/C16H18N6O2S/c1-20-15-14(11-19-20)16(18-12-17-15)21-7-9-22(10-8-21)25(23,24)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyJRLSXVZTYFUMTL-UHFFFAOYSA-N
MW358.43 g/mol
LogP0.87
Rot. Bonds3

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 17458615) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID17458615
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21
InChIInChI=1S/C16H18N6O2S/c1-20-15-14(11-19-20)16(18-12-17-15)21-7-9-22(10-8-21)25(23,24)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyJRLSXVZTYFUMTL-UHFFFAOYSA-N
XLogP0.87
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 17458615) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is JRLSXVZTYFUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-20-15-14(11-19-20)16(18-12-17-15)21-7-9-22(10-8-21)25(23,24)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 358.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 17458615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).