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

C26H23FN6O2 — CID 162667653

IUPAC1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C26H23FN6O2/c27-19-6-8-20(9-7-19)33-24-21(15-29-33)25(34)32(17-28-24)16-26(35)11-13-31(14-12-26)23-10-5-18-3-1-2-4-22(18)30-23/h1-10,15,17,35H,11-14,16H2
InChIKeyFTGAVHSEIHUAIG-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.30
Rot. Bonds4

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

1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162667653) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162667653
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C26H23FN6O2/c27-19-6-8-20(9-7-19)33-24-21(15-29-33)25(34)32(17-28-24)16-26(35)11-13-31(14-12-26)23-10-5-18-3-1-2-4-22(18)30-23/h1-10,15,17,35H,11-14,16H2
InChIKeyFTGAVHSEIHUAIG-UHFFFAOYSA-N
XLogP3.30
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.30
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-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 162667653) is 1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-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-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC1(O)CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FTGAVHSEIHUAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-19-6-8-20(9-7-19)33-24-21(15-29-33)25(34)32(17-28-24)16-26(35)11-13-31(14-12-26)23-10-5-18-3-1-2-4-22(18)30-23/h1-10,15,17,35H,11-14,16H2.
What are the key properties of 1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 470.51 g/mol, XLogP of 3.30, 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-quinolin-2-ylpiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162667653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).