6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one

C26H27N5O5 — CID 122445089

IUPAC6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(C(=O)N2CCC(O)(Cn3cnc4c(-c5ccc(OC)cc5)n[nH]c4c3=O)CC2)cc1
InChIInChI=1S/C26H27N5O5/c1-35-19-7-3-17(4-8-19)21-22-23(29-28-21)25(33)31(16-27-22)15-26(34)11-13-30(14-12-26)24(32)18-5-9-20(36-2)10-6-18/h3-10,16,34H,11-15H2,1-2H3,(H,28,29)
InChIKeyHKPWEBYFNJMPIO-UHFFFAOYSA-N
MW489.53 g/mol
LogP2.47
Rot. Bonds6

About 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one

6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 122445089) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID122445089
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(C(=O)N2CCC(O)(Cn3cnc4c(-c5ccc(OC)cc5)n[nH]c4c3=O)CC2)cc1
InChIInChI=1S/C26H27N5O5/c1-35-19-7-3-17(4-8-19)21-22-23(29-28-21)25(33)31(16-27-22)15-26(34)11-13-30(14-12-26)24(32)18-5-9-20(36-2)10-6-18/h3-10,16,34H,11-15H2,1-2H3,(H,28,29)
InChIKeyHKPWEBYFNJMPIO-UHFFFAOYSA-N
XLogP2.47
TPSA122.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2-methoxyethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436359
7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one
CID 121435240
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 134274606
1-tert-butyl-5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435958
6-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-3-[3-(hydroxymethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-one
CID 122445102
[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 90074999
[4-[5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 68613742
3-[[4-hydroxy-1-[4-[4-(piperidine-1-carbonyl)phenyl]benzoyl]piperidin-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 121435386
ethane;methyl 4-[[1-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methanimidoyl-6-oxopyrimidin-4-yl]amino]benzoate
CID 145116396
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212

Frequently Asked Questions

What is the IUPAC name of 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one (CID 122445089) is 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one is COc1ccc(C(=O)N2CCC(O)(Cn3cnc4c(-c5ccc(OC)cc5)n[nH]c4c3=O)CC2)cc1.
What is the InChIKey of 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is HKPWEBYFNJMPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-35-19-7-3-17(4-8-19)21-22-23(29-28-21)25(33)31(16-27-22)15-26(34)11-13-30(14-12-26)24(32)18-5-9-20(36-2)10-6-18/h3-10,16,34H,11-15H2,1-2H3,(H,28,29).
What are the key properties of 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one?
6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 489.53 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-hydroxy-1-(4-methoxybenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 122445089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).