(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C16H15FN6O — CID 110874220

IUPAC(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H15FN6O/c17-12-3-1-2-11(8-12)16(24)23-6-4-22(5-7-23)15-13-9-20-21-14(13)18-10-19-15/h1-3,8-10H,4-7H2,(H,18,19,20,21)
InChIKeyJSGBYQRZBBVJDS-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.45
Rot. Bonds2

About (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 110874220) has the molecular formula C16H15FN6O and a molecular weight of 326.33 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID110874220
Molecular FormulaC16H15FN6O
Molecular Weight326.33 g/mol
Exact Mass326.13
IUPAC Name(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H15FN6O/c17-12-3-1-2-11(8-12)16(24)23-6-4-22(5-7-23)15-13-9-20-21-14(13)18-10-19-15/h1-3,8-10H,4-7H2,(H,18,19,20,21)
InChIKeyJSGBYQRZBBVJDS-UHFFFAOYSA-N
XLogP1.45
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 138005571
[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 108749495
(2,5-dimethylfuran-3-yl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 47054755
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 110874220) is (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is JSGBYQRZBBVJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c17-12-3-1-2-11(8-12)16(24)23-6-4-22(5-7-23)15-13-9-20-21-14(13)18-10-19-15/h1-3,8-10H,4-7H2,(H,18,19,20,21).
What are the key properties of (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 326.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110874220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).