1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C27H24FN7O4 — CID 121437049

IUPAC1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nnc(-c2ccc(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)cc2)o1
InChIInChI=1S/C27H24FN7O4/c1-17-31-32-24(39-17)18-2-4-19(5-3-18)25(36)33-12-10-27(38,11-13-33)15-34-16-29-23-22(26(34)37)14-30-35(23)21-8-6-20(28)7-9-21/h2-9,14,16,38H,10-13,15H2,1H3
InChIKeyPGSRVNOQDVBBOI-UHFFFAOYSA-N
MW529.53 g/mol
LogP2.75
Rot. Bonds5

About 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121437049) has the molecular formula C27H24FN7O4 and a molecular weight of 529.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121437049
Molecular FormulaC27H24FN7O4
Molecular Weight529.53 g/mol
Exact Mass529.19
IUPAC Name1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nnc(-c2ccc(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)cc2)o1
InChIInChI=1S/C27H24FN7O4/c1-17-31-32-24(39-17)18-2-4-19(5-3-18)25(36)33-12-10-27(38,11-13-33)15-34-16-29-23-22(26(34)37)14-30-35(23)21-8-6-20(28)7-9-21/h2-9,14,16,38H,10-13,15H2,1H3
InChIKeyPGSRVNOQDVBBOI-UHFFFAOYSA-N
XLogP2.75
TPSA132.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

Methyl 3-chloro-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162649296
Methyl 3-bromo-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162656558
Methyl 3-fluoro-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162667031
Methyl 4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162668878
Ethyl 3-chloro-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162646358
Methyl 3-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162646990
Methyl 2-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162648069
3-Chloro-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 162677224
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)-1-(6-phenylpyridazin-3-yl)pyrazol-5-amine
CID 139219683
[2-[[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 10203024
7-Amino-4-benzyl-10-[2-[4-[2-fluoro-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]piperazin-1-yl]ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44217843
[(2S)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 67158040

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 121437049) is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1nnc(-c2ccc(C(=O)N3CCC(O)(Cn4cnc5c(cnn5-c5ccc(F)cc5)c4=O)CC3)cc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PGSRVNOQDVBBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O4/c1-17-31-32-24(39-17)18-2-4-19(5-3-18)25(36)33-12-10-27(38,11-13-33)15-34-16-29-23-22(26(34)37)14-30-35(23)21-8-6-20(28)7-9-21/h2-9,14,16,38H,10-13,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 529.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121437049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).