1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine

C23H25N6+ — CID 6988765

IUPAC1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(CC[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H24N6/c1-3-7-19(8-4-1)11-12-27-13-15-28(16-14-27)22-21-17-26-29(23(21)25-18-24-22)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/p+1
InChIKeyORADJBAIYQJRFU-UHFFFAOYSA-O
MW385.50 g/mol
LogP1.76
Rot. Bonds5

About 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine

1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 6988765) has the molecular formula C23H25N6+ and a molecular weight of 385.50 g/mol. Its IUPAC name is 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID6988765
Molecular FormulaC23H25N6+
Molecular Weight385.50 g/mol
Exact Mass385.21
IUPAC Name1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(CC[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H24N6/c1-3-7-19(8-4-1)11-12-27-13-15-28(16-14-27)22-21-17-26-29(23(21)25-18-24-22)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/p+1
InChIKeyORADJBAIYQJRFU-UHFFFAOYSA-O
XLogP1.76
TPSA51.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-4-ium-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine
CID 7439304
4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 6966719
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 7205389
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine (CID 6988765) is 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine is c1ccc(CC[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is ORADJBAIYQJRFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N6/c1-3-7-19(8-4-1)11-12-27-13-15-28(16-14-27)22-21-17-26-29(23(21)25-18-24-22)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/p+1.
What are the key properties of 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 385.50 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 6988765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).