6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one

C24H29N5O3 — CID 134218571

IUPAC6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1c(-c2cc(=O)n(CC3(O)CCN(C(=O)CCc4ccccc4)CC3)cn2)cnn1C
InChIInChI=1S/C24H29N5O3/c1-18-20(15-26-27(18)2)21-14-23(31)29(17-25-21)16-24(32)10-12-28(13-11-24)22(30)9-8-19-6-4-3-5-7-19/h3-7,14-15,17,32H,8-13,16H2,1-2H3
InChIKeyPLIJQSBWCPEMIY-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.94
Rot. Bonds6

About 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 134218571) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID134218571
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1c(-c2cc(=O)n(CC3(O)CCN(C(=O)CCc4ccccc4)CC3)cn2)cnn1C
InChIInChI=1S/C24H29N5O3/c1-18-20(15-26-27(18)2)21-14-23(31)29(17-25-21)16-24(32)10-12-28(13-11-24)22(30)9-8-19-6-4-3-5-7-19/h3-7,14-15,17,32H,8-13,16H2,1-2H3
InChIKeyPLIJQSBWCPEMIY-UHFFFAOYSA-N
XLogP1.94
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

(R)-6-((4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-3-isopropyl-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 134451155
(R)-6-((4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-2-methyl-3-(prop-1-en-2-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 134451452
5-[1-[4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 145961432
US11053213, Example 131
CID 134218482
US11807646, Example 205
CID 139375460
6-[[4-Hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
CID 134451275
US11053213, Example 9
CID 134218629
US11053213, Example 16
CID 134218631
US10766903, Example 3
CID 134451122
US10766903, Example 35
CID 134451186
US10766903, Example 54
CID 134451345
3-{[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45251693

Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 134218571) is 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1c(-c2cc(=O)n(CC3(O)CCN(C(=O)CCc4ccccc4)CC3)cn2)cnn1C.
What is the InChIKey of 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is PLIJQSBWCPEMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-18-20(15-26-27(18)2)21-14-23(31)29(17-25-21)16-24(32)10-12-28(13-11-24)22(30)9-8-19-6-4-3-5-7-19/h3-7,14-15,17,32H,8-13,16H2,1-2H3.
What are the key properties of 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 435.53 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyrazol-4-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 134218571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).