1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C23H23FN6O2 — CID 162652924

IUPAC1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H23FN6O2/c24-17-4-6-19(7-5-17)30-21-20(13-27-30)22(31)29(16-26-21)15-23(32)8-11-28(12-9-23)14-18-3-1-2-10-25-18/h1-7,10,13,16,32H,8-9,11-12,14-15H2
InChIKeyPDDXVNJAAFYLMQ-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.14
Rot. Bonds5

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

1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162652924) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162652924
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H23FN6O2/c24-17-4-6-19(7-5-17)30-21-20(13-27-30)22(31)29(16-26-21)15-23(32)8-11-28(12-9-23)14-18-3-1-2-10-25-18/h1-7,10,13,16,32H,8-9,11-12,14-15H2
InChIKeyPDDXVNJAAFYLMQ-UHFFFAOYSA-N
XLogP2.14
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 162652924) is 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PDDXVNJAAFYLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c24-17-4-6-19(7-5-17)30-21-20(13-27-30)22(31)29(16-26-21)15-23(32)8-11-28(12-9-23)14-18-3-1-2-10-25-18/h1-7,10,13,16,32H,8-9,11-12,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 434.48 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[[4-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162652924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).