5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one

C23H21FN6O3 — CID 121456837

IUPAC5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc(F)cn1)N1CCC(O)(Cn2c(-c3ccccc3)nc3[nH]ncc3c2=O)CC1
InChIInChI=1S/C23H21FN6O3/c24-16-6-7-18(25-12-16)22(32)29-10-8-23(33,9-11-29)14-30-20(15-4-2-1-3-5-15)27-19-17(21(30)31)13-26-28-19/h1-7,12-13,33H,8-11,14H2,(H,26,28)
InChIKeyRHJFMUXOZXNHPR-UHFFFAOYSA-N
MW448.46 g/mol
LogP1.99
Rot. Bonds4

About 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one

5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 121456837) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID121456837
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(c1ccc(F)cn1)N1CCC(O)(Cn2c(-c3ccccc3)nc3[nH]ncc3c2=O)CC1
InChIInChI=1S/C23H21FN6O3/c24-16-6-7-18(25-12-16)22(32)29-10-8-23(33,9-11-29)14-30-20(15-4-2-1-3-5-15)27-19-17(21(30)31)13-26-28-19/h1-7,12-13,33H,8-11,14H2,(H,26,28)
InChIKeyRHJFMUXOZXNHPR-UHFFFAOYSA-N
XLogP1.99
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 121456837) is 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one is O=C(c1ccc(F)cn1)N1CCC(O)(Cn2c(-c3ccccc3)nc3[nH]ncc3c2=O)CC1.
What is the InChIKey of 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RHJFMUXOZXNHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c24-16-6-7-18(25-12-16)22(32)29-10-8-23(33,9-11-29)14-30-20(15-4-2-1-3-5-15)27-19-17(21(30)31)13-26-28-19/h1-7,12-13,33H,8-11,14H2,(H,26,28).
What are the key properties of 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 448.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-fluoropyridine-2-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 121456837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).