6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H24FN7O — CID 137258334

IUPAC6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCCN2CCN(c3ccc(F)cc3)CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C23H24FN7O/c24-17-6-8-18(9-7-17)30-14-12-29(13-15-30)11-10-25-23-27-21-20(22(32)28-23)16-26-31(21)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H2,25,27,28,32)
InChIKeyYDGFLWXEJDUYBT-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.48
Rot. Bonds6

About 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137258334) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137258334
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCCN2CCN(c3ccc(F)cc3)CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C23H24FN7O/c24-17-6-8-18(9-7-17)30-14-12-29(13-15-30)11-10-25-23-27-21-20(22(32)28-23)16-26-31(21)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H2,25,27,28,32)
InChIKeyYDGFLWXEJDUYBT-UHFFFAOYSA-N
XLogP2.48
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-ethylpiperazin-1-yl)anilino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167968460
6-[2-[4-(hydroxymethyl)phenyl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273758
6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274782
6-[2-(2,3-dihydro-1H-inden-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275947
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
1-phenyl-6-[(2-piperidin-1-ylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262155
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137257511
6-[[(4-fluorophenyl)-phenylmethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274805
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136934134
1-tert-butyl-6-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261058
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
6-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275271

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137258334) is 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NCCN2CCN(c3ccc(F)cc3)CC2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YDGFLWXEJDUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c24-17-6-8-18(9-7-17)30-14-12-29(13-15-30)11-10-25-23-27-21-20(22(32)28-23)16-26-31(21)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H2,25,27,28,32).
What are the key properties of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 433.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137258334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).