5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C26H27N5O5 — CID 121436830

IUPAC5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C26H27N5O5/c1-35-19-8-9-22(36-2)20(14-19)24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-21(25(30)33)15-28-31(23)18-6-4-3-5-7-18/h3-9,14-15,17,34H,10-13,16H2,1-2H3
InChIKeyZEPFFZIYSNIWSL-UHFFFAOYSA-N
MW489.53 g/mol
LogP2.27
Rot. Bonds6

About 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121436830) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121436830
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C26H27N5O5/c1-35-19-8-9-22(36-2)20(14-19)24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-21(25(30)33)15-28-31(23)18-6-4-3-5-7-18/h3-9,14-15,17,34H,10-13,16H2,1-2H3
InChIKeyZEPFFZIYSNIWSL-UHFFFAOYSA-N
XLogP2.27
TPSA111.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
5-[[4-hydroxy-1-[4-(1-hydroxycyclopropyl)benzoyl]piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436309
N-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-2-methoxybenzamide
CID 121457281
[4-[4-hydroxy-4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]boronic acid
CID 131748506
5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436816
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2-methoxyethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436359
N-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3-methoxybenzamide
CID 121456905
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
5-[[1-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814
5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 146222171
1-(4-bromophenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222109
1-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3-phenylurea
CID 121436042

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 121436830) is 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(OC)c(C(=O)N2CCC(O)(Cn3cnc4c(cnn4-c4ccccc4)c3=O)CC2)c1.
What is the InChIKey of 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZEPFFZIYSNIWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-35-19-8-9-22(36-2)20(14-19)24(32)29-12-10-26(34,11-13-29)16-30-17-27-23-21(25(30)33)15-28-31(23)18-6-4-3-5-7-18/h3-9,14-15,17,34H,10-13,16H2,1-2H3.
What are the key properties of 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 489.53 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121436830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).