5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C31H29N5O4 — CID 134274606

IUPAC5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(-c2ccccc2)c2ncn(CC3(O)CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)c(=O)c12
InChIInChI=1S/C31H29N5O4/c1-22-27-28(36(33-22)24-8-4-2-5-9-24)32-21-35(30(27)38)20-31(39)16-18-34(19-17-31)29(37)23-12-14-26(15-13-23)40-25-10-6-3-7-11-25/h2-15,21,39H,16-20H2,1H3
InChIKeyNZWDIRHHSFXWFY-UHFFFAOYSA-N
MW535.60 g/mol
LogP4.35
Rot. Bonds6

About 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 134274606) has the molecular formula C31H29N5O4 and a molecular weight of 535.60 g/mol. Its IUPAC name is 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID134274606
Molecular FormulaC31H29N5O4
Molecular Weight535.60 g/mol
Exact Mass535.22
IUPAC Name5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(-c2ccccc2)c2ncn(CC3(O)CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)c(=O)c12
InChIInChI=1S/C31H29N5O4/c1-22-27-28(36(33-22)24-8-4-2-5-9-24)32-21-35(30(27)38)20-31(39)16-18-34(19-17-31)29(37)23-12-14-26(15-13-23)40-25-10-6-3-7-11-25/h2-15,21,39H,16-20H2,1H3
InChIKeyNZWDIRHHSFXWFY-UHFFFAOYSA-N
XLogP4.35
TPSA102.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.60
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-tert-butyl-5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435958
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
[4-[4-hydroxy-4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]boronic acid
CID 131748506
5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436830
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(2-methoxyethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436359
5-[[4-hydroxy-1-(1H-indazole-6-carbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436816
5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 146222171
5-[[1-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436441
1-(3-bromophenyl)-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222107
5-[[1-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxybenzoyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one;5-[[4-hydroxy-1-[4-(4-hydroxycyclohexyl)oxybenzoyl]piperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 162222158

Frequently Asked Questions

What is the IUPAC name of 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 134274606) is 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nn(-c2ccccc2)c2ncn(CC3(O)CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)c(=O)c12.
What is the InChIKey of 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NZWDIRHHSFXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O4/c1-22-27-28(36(33-22)24-8-4-2-5-9-24)32-21-35(30(27)38)20-31(39)16-18-34(19-17-31)29(37)23-12-14-26(15-13-23)40-25-10-6-3-7-11-25/h2-15,21,39H,16-20H2,1H3.
What are the key properties of 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 535.60 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 134274606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).