6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

C25H26N6O2S — CID 42671904

IUPAC6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(C4CC4)nc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H26N6O2S/c1-18-7-11-21(12-8-18)34(32,33)30-15-13-29(14-16-30)24-22-17-26-31(20-5-3-2-4-6-20)25(22)28-23(27-24)19-9-10-19/h2-8,11-12,17,19H,9-10,13-16H2,1H3
InChIKeyULEQLYSZBZOZTE-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.51
Rot. Bonds5

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

6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 42671904) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID42671904
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(C4CC4)nc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H26N6O2S/c1-18-7-11-21(12-8-18)34(32,33)30-15-13-29(14-16-30)24-22-17-26-31(20-5-3-2-4-6-20)25(22)28-23(27-24)19-9-10-19/h2-8,11-12,17,19H,9-10,13-16H2,1H3
InChIKeyULEQLYSZBZOZTE-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.51
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
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-6-[(2R)-pentan-2-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 93126780
1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 42671902
[4-(6-cyclohexyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 42674111
1-[4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42675585
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
3,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 42675816
[4-(6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 42671831
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
4-[4-(benzenesulfonyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidine
CID 108784407
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
CID 171989287
4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42675789

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 42671904) is 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(C4CC4)nc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ULEQLYSZBZOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-18-7-11-21(12-8-18)34(32,33)30-15-13-29(14-16-30)24-22-17-26-31(20-5-3-2-4-6-20)25(22)28-23(27-24)19-9-10-19/h2-8,11-12,17,19H,9-10,13-16H2,1H3.
What are the key properties of 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 474.59 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42671904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).