1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one

C24H22F2N6O2 — CID 16882720

IUPAC1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H22F2N6O2/c25-17-5-7-18(8-6-17)32-23-19(15-28-32)24(34)31(16-27-23)10-9-22(33)30-13-11-29(12-14-30)21-4-2-1-3-20(21)26/h1-8,15-16H,9-14H2
InChIKeyIUNKXSXJBDILPB-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.60
Rot. Bonds5

About 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 16882720) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID16882720
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H22F2N6O2/c25-17-5-7-18(8-6-17)32-23-19(15-28-32)24(34)31(16-27-23)10-9-22(33)30-13-11-29(12-14-30)21-4-2-1-3-20(21)26/h1-8,15-16H,9-14H2
InChIKeyIUNKXSXJBDILPB-UHFFFAOYSA-N
XLogP2.60
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16883108
1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433541
1-(3,4-dimethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433577
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17447658
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882325
1-(4-methylphenyl)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883103
1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 35187304
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882781
1-(4-fluorophenyl)-6-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882521
N-benzyl-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylpropanamide
CID 16882698

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 16882720) is 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one is O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IUNKXSXJBDILPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c25-17-5-7-18(8-6-17)32-23-19(15-28-32)24(34)31(16-27-23)10-9-22(33)30-13-11-29(12-14-30)21-4-2-1-3-20(21)26/h1-8,15-16H,9-14H2.
What are the key properties of 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 464.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 16882720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).