1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C22H21FN6O3 — CID 146444579

IUPAC1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ncc(C(=O)N2CCC(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)o1
InChIInChI=1S/C22H21FN6O3/c1-14-24-11-19(32-14)22(31)27-8-6-15(7-9-27)12-28-13-25-20-18(21(28)30)10-26-29(20)17-4-2-16(23)3-5-17/h2-5,10-11,13,15H,6-9,12H2,1H3
InChIKeyXAKVGNZMJIGFBI-UHFFFAOYSA-N
MW436.45 g/mol
LogP2.57
Rot. Bonds4

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

1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 146444579) has the molecular formula C22H21FN6O3 and a molecular weight of 436.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID146444579
Molecular FormulaC22H21FN6O3
Molecular Weight436.45 g/mol
Exact Mass436.17
IUPAC Name1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ncc(C(=O)N2CCC(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)o1
InChIInChI=1S/C22H21FN6O3/c1-14-24-11-19(32-14)22(31)27-8-6-15(7-9-27)12-28-13-25-20-18(21(28)30)10-26-29(20)17-4-2-16(23)3-5-17/h2-5,10-11,13,15H,6-9,12H2,1H3
InChIKeyXAKVGNZMJIGFBI-UHFFFAOYSA-N
XLogP2.57
TPSA99.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-cyclobutylphenyl)-5-[[4-hydroxy-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436223
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
5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155947667
5-[[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121436354
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78622929
5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 155163147
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
1-(1-cyclopropylpyrazol-4-yl)-5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436599
5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 112772732
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]piperidine-1-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436724

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 146444579) is 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ncc(C(=O)N2CCC(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XAKVGNZMJIGFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O3/c1-14-24-11-19(32-14)22(31)27-8-6-15(7-9-27)12-28-13-25-20-18(21(28)30)10-26-29(20)17-4-2-16(23)3-5-17/h2-5,10-11,13,15H,6-9,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 436.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 146444579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).