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

C22H21FN6O2 — CID 162677258

IUPAC1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21FN6O2/c23-16-4-6-17(7-5-16)29-20-18(13-26-29)21(30)28(15-25-20)14-22(31)8-11-27(12-9-22)19-3-1-2-10-24-19/h1-7,10,13,15,31H,8-9,11-12,14H2
InChIKeyYHJMLIAGKPTYLW-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.15
Rot. Bonds4

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

1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162677258) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162677258
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21FN6O2/c23-16-4-6-17(7-5-16)29-20-18(13-26-29)21(30)28(15-25-20)14-22(31)8-11-27(12-9-22)19-3-1-2-10-24-19/h1-7,10,13,15,31H,8-9,11-12,14H2
InChIKeyYHJMLIAGKPTYLW-UHFFFAOYSA-N
XLogP2.15
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.15
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-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 162677258) is 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-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-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YHJMLIAGKPTYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c23-16-4-6-17(7-5-16)29-20-18(13-26-29)21(30)28(15-25-20)14-22(31)8-11-27(12-9-22)19-3-1-2-10-24-19/h1-7,10,13,15,31H,8-9,11-12,14H2.
What are the key properties of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(4-hydroxy-1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 420.45 g/mol, XLogP of 2.15, 4 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-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162677258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).