5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one

C22H26FN5O2 — CID 16882516

IUPAC5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H26FN5O2/c1-14-10-15(2)13-26(12-14)20(29)8-9-27-16(3)25-21-19(22(27)30)11-24-28(21)18-6-4-17(23)5-7-18/h4-7,11,14-15H,8-10,12-13H2,1-3H3
InChIKeyMJGIYOXVICYYSE-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.92
Rot. Bonds4

About 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 16882516) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID16882516
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H26FN5O2/c1-14-10-15(2)13-26(12-14)20(29)8-9-27-16(3)25-21-19(22(27)30)11-24-28(21)18-6-4-17(23)5-7-18/h4-7,11,14-15H,8-10,12-13H2,1-3H3
InChIKeyMJGIYOXVICYYSE-UHFFFAOYSA-N
XLogP2.92
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882679
1-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-4-carboxamide
CID 16882684
1-(4-fluorophenyl)-6-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882521
N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882681
5-[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882585
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16882909
N-benzyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882556
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629
N-[(2,6-difluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882676
N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882579
N-(3,4-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882628
N-(3,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882635

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 16882516) is 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MJGIYOXVICYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-14-10-15(2)13-26(12-14)20(29)8-9-27-16(3)25-21-19(22(27)30)11-24-28(21)18-6-4-17(23)5-7-18/h4-7,11,14-15H,8-10,12-13H2,1-3H3.
What are the key properties of 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 411.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 16882516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).