3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one

C23H27N5O3 — CID 134451122

IUPAC3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccn[nH]3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O3/c1-17(18-5-3-2-4-6-18)13-21(29)27-11-8-23(31,9-12-27)15-28-16-24-20(14-22(28)30)19-7-10-25-26-19/h2-7,10,14,16-17,31H,8-9,11-13,15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyPUMARQOGXIAXIE-QGZVFWFLSA-N
MW421.50 g/mol
LogP2.18
Rot. Bonds6

About 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one

3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one (PubChem CID 134451122) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one
PubChem CID134451122
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccn[nH]3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O3/c1-17(18-5-3-2-4-6-18)13-21(29)27-11-8-23(31,9-12-27)15-28-16-24-20(14-22(28)30)19-7-10-25-26-19/h2-7,10,14,16-17,31H,8-9,11-13,15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyPUMARQOGXIAXIE-QGZVFWFLSA-N
XLogP2.18
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(1H-pyrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698280
(R)-6-((4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-2-methyl-3-(1H-pyrazol-3-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 134451448
US11053213, Example 133
CID 134218673
US11053213, Example 67
CID 134218445
US11053213, Example 9
CID 134218629
US10766903, Example 54
CID 134451345
US11053213, Example 112
CID 134218570
US11053213, Example 187
CID 139347283
N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 136264132
2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72874252
5-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95207070
2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95210706

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one (CID 134451122) is 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one is C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccn[nH]3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one?
The InChIKey is PUMARQOGXIAXIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-17(18-5-3-2-4-6-18)13-21(29)27-11-8-23(31,9-12-27)15-28-16-24-20(14-22(28)30)19-7-10-25-26-19/h2-7,10,14,16-17,31H,8-9,11-13,15H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one?
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one has a molecular weight of 421.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one is sourced from PubChem (CID 134451122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).