6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C24H25FN4O2 — CID 135702887

IUPAC6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(O)C(CCCc1ccccc1)n1ncc2c(=O)[nH]c(Cc3ccc(F)cc3)nc21
InChIInChI=1S/C24H25FN4O2/c1-16(30)21(9-5-8-17-6-3-2-4-7-17)29-23-20(15-26-29)24(31)28-22(27-23)14-18-10-12-19(25)13-11-18/h2-4,6-7,10-13,15-16,21,30H,5,8-9,14H2,1H3,(H,27,28,31)
InChIKeyQPXIAAKFERTVHO-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.79
Rot. Bonds8

About 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135702887) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135702887
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(O)C(CCCc1ccccc1)n1ncc2c(=O)[nH]c(Cc3ccc(F)cc3)nc21
InChIInChI=1S/C24H25FN4O2/c1-16(30)21(9-5-8-17-6-3-2-4-7-17)29-23-20(15-26-29)24(31)28-22(27-23)14-18-10-12-19(25)13-11-18/h2-4,6-7,10-13,15-16,21,30H,5,8-9,14H2,1H3,(H,27,28,31)
InChIKeyQPXIAAKFERTVHO-UHFFFAOYSA-N
XLogP3.79
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135702887) is 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(O)C(CCCc1ccccc1)n1ncc2c(=O)[nH]c(Cc3ccc(F)cc3)nc21.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QPXIAAKFERTVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16(30)21(9-5-8-17-6-3-2-4-7-17)29-23-20(15-26-29)24(31)28-22(27-23)14-18-10-12-19(25)13-11-18/h2-4,6-7,10-13,15-16,21,30H,5,8-9,14H2,1H3,(H,27,28,31).
What are the key properties of 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 420.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).